1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C20H20N4O2 — CID 139421704

IUPAC1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)c(C)n1
InChIInChI=1S/C20H20N4O2/c1-13-16(9-11-19(21-13)26-2)22-20-23-18(25)12-15-8-10-17(24(15)20)14-6-4-3-5-7-14/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,22,23,25)
InChIKeyCIBAOVATOMYFPX-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.23
Rot. Bonds4

About 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421704) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421704
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)c(C)n1
InChIInChI=1S/C20H20N4O2/c1-13-16(9-11-19(21-13)26-2)22-20-23-18(25)12-15-8-10-17(24(15)20)14-6-4-3-5-7-14/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,22,23,25)
InChIKeyCIBAOVATOMYFPX-UHFFFAOYSA-N
XLogP3.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421704) is 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1ccc(Nc2nc(=O)cc3n2C(c2ccccc2)CC3)c(C)n1.
What is the InChIKey of 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is CIBAOVATOMYFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-16(9-11-19(21-13)26-2)22-20-23-18(25)12-15-8-10-17(24(15)20)14-6-4-3-5-7-14/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,22,23,25).
What are the key properties of 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 348.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-7-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).