2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide

C15H18N4O — CID 107589959

IUPAC2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
SMILESCCCNc1ccc(C(=O)Nc2cncnc2)c(C)c1
InChIInChI=1S/C15H18N4O/c1-3-6-18-12-4-5-14(11(2)7-12)15(20)19-13-8-16-10-17-9-13/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyBTQSTYDWYGKXPO-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.86
Rot. Bonds5

About 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide

2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide (PubChem CID 107589959) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
PubChem CID107589959
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
SMILESCCCNc1ccc(C(=O)Nc2cncnc2)c(C)c1
InChIInChI=1S/C15H18N4O/c1-3-6-18-12-4-5-14(11(2)7-12)15(20)19-13-8-16-10-17-9-13/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyBTQSTYDWYGKXPO-UHFFFAOYSA-N
XLogP2.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589993
2-methyl-4-(propylamino)-N-pyridazin-3-ylbenzamide
CID 116787892
2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107589970
4-(3-hydroxypropylamino)-2-methyl-N-propylbenzamide
CID 142889038
[2-methyl-4-(propylamino)phenyl]-phenylmethanone
CID 174896949
2-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023425
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
3-amino-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107587369
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
4-hydrazinyl-2-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586747
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide (CID 107589959) is 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide is CCCNc1ccc(C(=O)Nc2cncnc2)c(C)c1.
What is the InChIKey of 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide?
The InChIKey is BTQSTYDWYGKXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-6-18-12-4-5-14(11(2)7-12)15(20)19-13-8-16-10-17-9-13/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide?
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide has a molecular weight of 270.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107589959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).