N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide

C21H24N4O — CID 58702684

IUPACN-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide
SMILESCCCN(C(=O)c1ccc2ccccc2c1)c1ccnc(NC(C)C)n1
InChIInChI=1S/C21H24N4O/c1-4-13-25(19-11-12-22-21(24-19)23-15(2)3)20(26)18-10-9-16-7-5-6-8-17(16)14-18/h5-12,14-15H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyVIGBZMNUUVIOAK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide

N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide (PubChem CID 58702684) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide
PubChem CID58702684
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide
SMILESCCCN(C(=O)c1ccc2ccccc2c1)c1ccnc(NC(C)C)n1
InChIInChI=1S/C21H24N4O/c1-4-13-25(19-11-12-22-21(24-19)23-15(2)3)20(26)18-10-9-16-7-5-6-8-17(16)14-18/h5-12,14-15H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyVIGBZMNUUVIOAK-UHFFFAOYSA-N
XLogP4.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfonylethyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702244
4-[2,3-dihydro-1-benzofuran-5-carbonyl-[2-(propan-2-ylamino)pyrimidin-4-yl]amino]butanoic acid
CID 58702701
N-(5-aminopentyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702581
N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
CID 11210607
N-[2-(dimethylamino)ethyl]-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702530
N-ethyl-N-[2-(pyrrolidin-3-ylamino)pyrimidin-4-yl]naphthalene-2-carboxamide
CID 11302904
4-bromo-N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
CID 58702374
ethyl 2-[4-[naphthalene-2-carbonyl-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]carbamoyl]piperidin-1-yl]-2-oxoacetate
CID 58702162
N-[(3S)-2,3-dihydroxypent-4-ynyl]-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 163520406
tert-butyl N-[N'-[2-[2,3-dihydro-1-benzofuran-5-carbonyl-[2-(propan-2-ylamino)pyrimidin-4-yl]amino]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 58702476
N-[(3S)-4-amino-2-hydroxy-3-nitrosobutyl]-3-ethyl-4-methoxy-N-[2-(propan-2-ylamino)pyrimidin-4-yl]benzamide
CID 143029127
tert-butyl 4-[[[2-(methylamino)pyrimidin-4-yl]-(naphthalene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 58702486

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide (CID 58702684) is N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide is CCCN(C(=O)c1ccc2ccccc2c1)c1ccnc(NC(C)C)n1.
What is the InChIKey of N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide?
The InChIKey is VIGBZMNUUVIOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-13-25(19-11-12-22-21(24-19)23-15(2)3)20(26)18-10-9-16-7-5-6-8-17(16)14-18/h5-12,14-15H,4,13H2,1-3H3,(H,22,23,24).
What are the key properties of N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide?
N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)pyrimidin-4-yl]-N-propylnaphthalene-2-carboxamide is sourced from PubChem (CID 58702684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).