2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide

C21H18N6O — CID 59483490

IUPAC2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide
SMILESCN(Cc1cccc(-c2cncnc2)c1)C(=O)c1nc(N)nc2ccccc12
InChIInChI=1S/C21H18N6O/c1-27(12-14-5-4-6-15(9-14)16-10-23-13-24-11-16)20(28)19-17-7-2-3-8-18(17)25-21(22)26-19/h2-11,13H,12H2,1H3,(H2,22,25,26)
InChIKeyDQYRCAKMSCAOHY-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide

2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide (PubChem CID 59483490) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide
PubChem CID59483490
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide
SMILESCN(Cc1cccc(-c2cncnc2)c1)C(=O)c1nc(N)nc2ccccc12
InChIInChI=1S/C21H18N6O/c1-27(12-14-5-4-6-15(9-14)16-10-23-13-24-11-16)20(28)19-17-7-2-3-8-18(17)25-21(22)26-19/h2-11,13H,12H2,1H3,(H2,22,25,26)
InChIKeyDQYRCAKMSCAOHY-UHFFFAOYSA-N
XLogP2.94
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide (CID 59483490) is 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide is CN(Cc1cccc(-c2cncnc2)c1)C(=O)c1nc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide?
The InChIKey is DQYRCAKMSCAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-27(12-14-5-4-6-15(9-14)16-10-23-13-24-11-16)20(28)19-17-7-2-3-8-18(17)25-21(22)26-19/h2-11,13H,12H2,1H3,(H2,22,25,26).
What are the key properties of 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide?
2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3-pyrimidin-5-ylphenyl)methyl]quinazoline-4-carboxamide is sourced from PubChem (CID 59483490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).