1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide

C22H21N5O2 — CID 140765851

IUPAC1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)n([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(-c2ncccn2)n1
InChIInChI=1S/C22H21N5O2/c23-20(29)17-12-18(28)27(22(26-17)21-24-10-1-11-25-21)19(16-8-9-16)15-6-4-14(5-7-15)13-2-3-13/h1,4-7,10-13,16,19H,2-3,8-9H2,(H2,23,29)/t19-/m0/s1
InChIKeyZGCMALGOSJVPGE-IBGZPJMESA-N
MW387.44 g/mol
LogP2.68
Rot. Bonds6

About 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide

1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide (PubChem CID 140765851) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide
PubChem CID140765851
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide
SMILESNC(=O)c1cc(=O)n([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(-c2ncccn2)n1
InChIInChI=1S/C22H21N5O2/c23-20(29)17-12-18(28)27(22(26-17)21-24-10-1-11-25-21)19(16-8-9-16)15-6-4-14(5-7-15)13-2-3-13/h1,4-7,10-13,16,19H,2-3,8-9H2,(H2,23,29)/t19-/m0/s1
InChIKeyZGCMALGOSJVPGE-IBGZPJMESA-N
XLogP2.68
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide (CID 140765851) is 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide is NC(=O)c1cc(=O)n([C@@H](c2ccc(C3CC3)cc2)C2CC2)c(-c2ncccn2)n1.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
The InChIKey is ZGCMALGOSJVPGE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N5O2/c23-20(29)17-12-18(28)27(22(26-17)21-24-10-1-11-25-21)19(16-8-9-16)15-6-4-14(5-7-15)13-2-3-13/h1,4-7,10-13,16,19H,2-3,8-9H2,(H2,23,29)/t19-/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide?
1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-cyclopropylphenyl)methyl]-6-oxo-2-pyrimidin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 140765851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).