N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide

C20H25FN6O — CID 134799021

IUPACN-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C20H25FN6O/c21-16-7-3-4-8-17(16)24-18-9-10-22-19(25-18)26-11-13-27(14-12-26)20(28)23-15-5-1-2-6-15/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,23,28)(H,22,24,25)
InChIKeyOPBFEBAJHMXKSA-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.13
Rot. Bonds4

About N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide

N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide (PubChem CID 134799021) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide
PubChem CID134799021
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC NameN-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(c2nccc(Nc3ccccc3F)n2)CC1
InChIInChI=1S/C20H25FN6O/c21-16-7-3-4-8-17(16)24-18-9-10-22-19(25-18)26-11-13-27(14-12-26)20(28)23-15-5-1-2-6-15/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,23,28)(H,22,24,25)
InChIKeyOPBFEBAJHMXKSA-UHFFFAOYSA-N
XLogP3.13
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
2(3H)-Thiazolone, 3,4-diMethyl-5-[2-[[4-(1-piperazinyl)phenyl]aMino]-4-pyriMidinyl]-
CID 11257553
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
2-Chloro-5-fluoro-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 1911255
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 667926
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39
CID 5330225
8-sec-Butyl-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330227
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45
CID 5330231
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66
CID 5330252
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68
CID 5330254

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide (CID 134799021) is N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(c2nccc(Nc3ccccc3F)n2)CC1.
What is the InChIKey of N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide?
The InChIKey is OPBFEBAJHMXKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c21-16-7-3-4-8-17(16)24-18-9-10-22-19(25-18)26-11-13-27(14-12-26)20(28)23-15-5-1-2-6-15/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,23,28)(H,22,24,25).
What are the key properties of N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide?
N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[4-(2-fluoroanilino)pyrimidin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 134799021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).