N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide

C17H18N4O — CID 117084829

IUPACN-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2nccc(NC3CC3)n2)cc1
InChIInChI=1S/C17H18N4O/c22-17(20-14-7-8-14)12-3-1-11(2-4-12)16-18-10-9-15(21-16)19-13-5-6-13/h1-4,9-10,13-14H,5-8H2,(H,20,22)(H,18,19,21)
InChIKeyDFRWPGHJVCQGCB-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.61
Rot. Bonds5

About N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide

N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide (PubChem CID 117084829) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide
PubChem CID117084829
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2nccc(NC3CC3)n2)cc1
InChIInChI=1S/C17H18N4O/c22-17(20-14-7-8-14)12-3-1-11(2-4-12)16-18-10-9-15(21-16)19-13-5-6-13/h1-4,9-10,13-14H,5-8H2,(H,20,22)(H,18,19,21)
InChIKeyDFRWPGHJVCQGCB-UHFFFAOYSA-N
XLogP2.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-phenylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060125
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclopropyl-4-[4-(3-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386439
cis-(1R,2S)-4-[(2-phenylpyrimidin-4-yl)amino]cyclohexane-1,2-diol
CID 138020161
1-cyclopentyl-3-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 21404741
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
4-(3-chloro-2-pyridinyl)-N-cyclopropylbenzamide
CID 59673165
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-4-methylbenzamide
CID 10237562
N-cyclopropyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379449
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]cyclohexyl]-4-fluorobenzamide
CID 23026609

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide (CID 117084829) is N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide is O=C(NC1CC1)c1ccc(-c2nccc(NC3CC3)n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide?
The InChIKey is DFRWPGHJVCQGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(20-14-7-8-14)12-3-1-11(2-4-12)16-18-10-9-15(21-16)19-13-5-6-13/h1-4,9-10,13-14H,5-8H2,(H,20,22)(H,18,19,21).
What are the key properties of N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide?
N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide has a molecular weight of 294.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(cyclopropylamino)pyrimidin-2-yl]benzamide is sourced from PubChem (CID 117084829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).