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

C15H18N4O — CID 107589993

IUPAC5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
SMILESCCCNc1ccc(C)cc1C(=O)Nc1cncnc1
InChIInChI=1S/C15H18N4O/c1-3-6-18-14-5-4-11(2)7-13(14)15(20)19-12-8-16-10-17-9-12/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyKLENTCLNORCZJF-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.86
Rot. Bonds5

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

5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide (PubChem CID 107589993) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
PubChem CID107589993
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
SMILESCCCNc1ccc(C)cc1C(=O)Nc1cncnc1
InChIInChI=1S/C15H18N4O/c1-3-6-18-14-5-4-11(2)7-13(14)15(20)19-12-8-16-10-17-9-12/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)
InChIKeyKLENTCLNORCZJF-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

N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
CID 63499323
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
N-(4-fluorophenyl)-5-methyl-2-(propylamino)benzamide
CID 62510349
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589959
2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
CID 107589970
N-(5-methyl-3-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 107586622
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
N-(dicyclopropylmethyl)-5-methyl-2-(propylamino)benzamide
CID 62510099
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62509479
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
5-methyl-N-(1-methylcyclopropyl)-2-(propylamino)benzamide
CID 113485988

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide (CID 107589993) is 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide is CCCNc1ccc(C)cc1C(=O)Nc1cncnc1.
What is the InChIKey of 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide?
The InChIKey is KLENTCLNORCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-6-18-14-5-4-11(2)7-13(14)15(20)19-12-8-16-10-17-9-12/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20).
What are the key properties of 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide?
5-methyl-2-(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 5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107589993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).