N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide

C18H24FN5O4 — CID 156747505

IUPACN-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESC#CCN(C)c1c(N(C=O)C2CC(F)C(CCC)O2)nc(NC(C)=O)[nH]c1=O
InChIInChI=1S/C18H24FN5O4/c1-5-7-13-12(19)9-14(28-13)24(10-25)16-15(23(4)8-6-2)17(27)22-18(21-16)20-11(3)26/h2,10,12-14H,5,7-9H2,1,3-4H3,(H2,20,21,22,26,27)
InChIKeyUHWOCOAQIXCRIX-UHFFFAOYSA-N
MW393.42 g/mol
LogP1.01
Rot. Bonds8

About N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 156747505) has the molecular formula C18H24FN5O4 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID156747505
Molecular FormulaC18H24FN5O4
Molecular Weight393.42 g/mol
Exact Mass393.18
IUPAC NameN-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESC#CCN(C)c1c(N(C=O)C2CC(F)C(CCC)O2)nc(NC(C)=O)[nH]c1=O
InChIInChI=1S/C18H24FN5O4/c1-5-7-13-12(19)9-14(28-13)24(10-25)16-15(23(4)8-6-2)17(27)22-18(21-16)20-11(3)26/h2,10,12-14H,5,7-9H2,1,3-4H3,(H2,20,21,22,26,27)
InChIKeyUHWOCOAQIXCRIX-UHFFFAOYSA-N
XLogP1.01
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 156747505) is N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide is C#CCN(C)c1c(N(C=O)C2CC(F)C(CCC)O2)nc(NC(C)=O)[nH]c1=O.
What is the InChIKey of N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is UHWOCOAQIXCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O4/c1-5-7-13-12(19)9-14(28-13)24(10-25)16-15(23(4)8-6-2)17(27)22-18(21-16)20-11(3)26/h2,10,12-14H,5,7-9H2,1,3-4H3,(H2,20,21,22,26,27).
What are the key properties of N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluoro-5-propyloxolan-2-yl)-formylamino]-5-[methyl(prop-2-ynyl)amino]-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 156747505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).