4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C23H27N5O2 — CID 10476390

IUPAC4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2(CO)CCCC2)c(C)c1-c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C23H27N5O2/c1-15-19(18-10-13-24-22(27-18)26-17-8-4-3-5-9-17)16(2)25-20(15)21(30)28-23(14-29)11-6-7-12-23/h3-5,8-10,13,25,29H,6-7,11-12,14H2,1-2H3,(H,28,30)(H,24,26,27)
InChIKeyDMXCLXKYCISDMZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.87
Rot. Bonds6

About 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 10476390) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID10476390
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2(CO)CCCC2)c(C)c1-c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C23H27N5O2/c1-15-19(18-10-13-24-22(27-18)26-17-8-4-3-5-9-17)16(2)25-20(15)21(30)28-23(14-29)11-6-7-12-23/h3-5,8-10,13,25,29H,6-7,11-12,14H2,1-2H3,(H,28,30)(H,24,26,27)
InChIKeyDMXCLXKYCISDMZ-UHFFFAOYSA-N
XLogP3.87
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-anilinopyrimidin-4-yl)-N-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide;4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide;4-(2-anilinopyrimidin-4-yl)-N-(2-hydroxy-2-phenylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 161442208
4-[2-[[(2S)-1-hydroxybutan-2-yl]amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 10425137
tert-butyl 4-[2-(3-chloroanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 59837981
tert-butyl 4-(2-anilinopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate;tert-butyl 4-[2-[(6-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate;tert-butyl 3,5-dimethyl-4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate
CID 158412377
3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid;(2S)-2-[[4-[5-(1-hydroxyethenyl)-2,4-dimethyl-1H-pyrrol-3-yl]pyrimidin-2-yl]amino]butan-1-ol;methane
CID 158415105
ethyl 4-[2-(3,5-dichloro-4-morpholin-4-ylanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 24762528
[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl] 3,5-dimethyl-4-[2-(propan-2-ylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate
CID 59837980
ethyl 4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 24762781
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
3,5-dimethyl-4-[2-(3-nitroanilino)pyrimidin-4-yl]-1H-pyrrole-2-carbonitrile
CID 6539306
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-[1-(hydroxymethyl)cyclopentyl]-4-oxo-1H-quinoline-3-carboxamide
CID 62519123

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 10476390) is 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC2(CO)CCCC2)c(C)c1-c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is DMXCLXKYCISDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-19(18-10-13-24-22(27-18)26-17-8-4-3-5-9-17)16(2)25-20(15)21(30)28-23(14-29)11-6-7-12-23/h3-5,8-10,13,25,29H,6-7,11-12,14H2,1-2H3,(H,28,30)(H,24,26,27).
What are the key properties of 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinopyrimidin-4-yl)-N-[1-(hydroxymethyl)cyclopentyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10476390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).