2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one

C19H23N7O — CID 137216378

IUPAC2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCc1cccc2c(N3CCC(N(C)Cc4cc(=O)[nH]c(N)n4)C3)ncnc12
InChIInChI=1S/C19H23N7O/c1-12-4-3-5-15-17(12)21-11-22-18(15)26-7-6-14(10-26)25(2)9-13-8-16(27)24-19(20)23-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H3,20,23,24,27)
InChIKeyKNBKTBZLSMVUGD-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one

2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one (PubChem CID 137216378) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
PubChem CID137216378
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
SMILESCc1cccc2c(N3CCC(N(C)Cc4cc(=O)[nH]c(N)n4)C3)ncnc12
InChIInChI=1S/C19H23N7O/c1-12-4-3-5-15-17(12)21-11-22-18(15)26-7-6-14(10-26)25(2)9-13-8-16(27)24-19(20)23-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H3,20,23,24,27)
InChIKeyKNBKTBZLSMVUGD-UHFFFAOYSA-N
XLogP1.31
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one (CID 137216378) is 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one is Cc1cccc2c(N3CCC(N(C)Cc4cc(=O)[nH]c(N)n4)C3)ncnc12.
What is the InChIKey of 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is KNBKTBZLSMVUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-12-4-3-5-15-17(12)21-11-22-18(15)26-7-6-14(10-26)25(2)9-13-8-16(27)24-19(20)23-13/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H3,20,23,24,27).
What are the key properties of 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one?
2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 365.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[methyl-[1-(8-methylquinazolin-4-yl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137216378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).