2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one

C18H21N5O — CID 135602391

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C18H21N5O/c1-5-6-14-12(4)20-18(22-16(14)24)23-17-19-11(3)13-8-7-10(2)9-15(13)21-17/h7-9H,5-6H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyPQXZCGZMFATBLK-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.33
Rot. Bonds4

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135602391) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135602391
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O
InChIInChI=1S/C18H21N5O/c1-5-6-14-12(4)20-18(22-16(14)24)23-17-19-11(3)13-8-7-10(2)9-15(13)21-17/h7-9H,5-6H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyPQXZCGZMFATBLK-UHFFFAOYSA-N
XLogP3.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one (CID 135602391) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(C)nc(Nc2nc(C)c3ccc(C)cc3n2)[nH]c1=O.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is PQXZCGZMFATBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-5-6-14-12(4)20-18(22-16(14)24)23-17-19-11(3)13-8-7-10(2)9-15(13)21-17/h7-9H,5-6H2,1-4H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 323.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135602391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).