6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride

C57H60Br2ClN11O8 — CID 160702066

IUPAC6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride
SMILESBrCCCCBr.Nc1ccnc(=O)[nH]1.O=C(Cc1ccccc1)Cc1ccn(CCCCn2ccc(NC(=O)Cc3ccccc3)nc2=O)c(=O)n1.O=C(Cc1ccccc1)Nc1ccnc(=O)[nH]1.O=C(Cl)Cc1ccccc1
InChIInChI=1S/C29H29N5O4.C12H11N3O2.C8H7ClO.C4H8Br2.C4H5N3O/c35-25(19-22-9-3-1-4-10-22)21-24-13-17-33(28(37)30-24)15-7-8-16-34-18-14-26(32-29(34)38)31-27(36)20-23-11-5-2-6-12-23;16-11(8-9-4-2-1-3-5-9)14-10-6-7-13-12(17)15-10;9-8(10)6-7-4-2-1-3-5-7;5-3-1-2-4-6;5-3-1-2-6-4(8)7-3/h1-6,9-14,17-18H,7-8,15-16,19-21H2,(H,31,32,36,38);1-7H,8H2,(H2,13,14,15,16,17);1-5H,6H2;1-4H2;1-2H,(H3,5,6,7,8)
InChIKeyRQTBJDSRYLREAT-UHFFFAOYSA-N
MW1222.44 g/mol
LogP7.67
Rot. Bonds20

About 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride

6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride (PubChem CID 160702066) has the molecular formula C57H60Br2ClN11O8 and a molecular weight of 1222.44 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride
PubChem CID160702066
Molecular FormulaC57H60Br2ClN11O8
Molecular Weight1222.44 g/mol
Exact Mass1219.27
IUPAC Name6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride
SMILESBrCCCCBr.Nc1ccnc(=O)[nH]1.O=C(Cc1ccccc1)Cc1ccn(CCCCn2ccc(NC(=O)Cc3ccccc3)nc2=O)c(=O)n1.O=C(Cc1ccccc1)Nc1ccnc(=O)[nH]1.O=C(Cl)Cc1ccccc1
InChIInChI=1S/C29H29N5O4.C12H11N3O2.C8H7ClO.C4H8Br2.C4H5N3O/c35-25(19-22-9-3-1-4-10-22)21-24-13-17-33(28(37)30-24)15-7-8-16-34-18-14-26(32-29(34)38)31-27(36)20-23-11-5-2-6-12-23;16-11(8-9-4-2-1-3-5-9)14-10-6-7-13-12(17)15-10;9-8(10)6-7-4-2-1-3-5-7;5-3-1-2-4-6;5-3-1-2-6-4(8)7-3/h1-6,9-14,17-18H,7-8,15-16,19-21H2,(H,31,32,36,38);1-7H,8H2,(H2,13,14,15,16,17);1-5H,6H2;1-4H2;1-2H,(H3,5,6,7,8)
InChIKeyRQTBJDSRYLREAT-UHFFFAOYSA-N
XLogP7.67
TPSA279.64 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.44
LogP ≤ 57.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride (CID 160702066) is 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride is BrCCCCBr.Nc1ccnc(=O)[nH]1.O=C(Cc1ccccc1)Cc1ccn(CCCCn2ccc(NC(=O)Cc3ccccc3)nc2=O)c(=O)n1.O=C(Cc1ccccc1)Nc1ccnc(=O)[nH]1.O=C(Cl)Cc1ccccc1.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride?
The InChIKey is RQTBJDSRYLREAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O4.C12H11N3O2.C8H7ClO.C4H8Br2.C4H5N3O/c35-25(19-22-9-3-1-4-10-22)21-24-13-17-33(28(37)30-24)15-7-8-16-34-18-14-26(32-29(34)38)31-27(36)20-23-11-5-2-6-12-23;16-11(8-9-4-2-1-3-5-9)14-10-6-7-13-12(17)15-10;9-8(10)6-7-4-2-1-3-5-7;5-3-1-2-4-6;5-3-1-2-6-4(8)7-3/h1-6,9-14,17-18H,7-8,15-16,19-21H2,(H,31,32,36,38);1-7H,8H2,(H2,13,14,15,16,17);1-5H,6H2;1-4H2;1-2H,(H3,5,6,7,8).
What are the key properties of 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride?
6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride has a molecular weight of 1222.44 g/mol, XLogP of 7.67, 20 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidin-2-one;1,4-dibromobutane;N-[2-oxo-1-[4-[2-oxo-4-(2-oxo-3-phenylpropyl)pyrimidin-1-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide;N-(2-oxo-1H-pyrimidin-6-yl)-2-phenylacetamide;2-phenylacetyl chloride is sourced from PubChem (CID 160702066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).