N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide

C13H17F3N4O — CID 164631144

IUPACN-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C(F)(F)F)CCCC1)c1nccc(N)n1
InChIInChI=1S/C13H17F3N4O/c1-8(10-18-7-4-9(17)20-10)19-11(21)12(13(14,15)16)5-2-3-6-12/h4,7-8H,2-3,5-6H2,1H3,(H,19,21)(H2,17,18,20)/t8-/m0/s1
InChIKeySMISVQGFIXEGGE-QMMMGPOBSA-N
MW302.30 g/mol
LogP2.36
Rot. Bonds3

About N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide

N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide (PubChem CID 164631144) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
PubChem CID164631144
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESC[C@H](NC(=O)C1(C(F)(F)F)CCCC1)c1nccc(N)n1
InChIInChI=1S/C13H17F3N4O/c1-8(10-18-7-4-9(17)20-10)19-11(21)12(13(14,15)16)5-2-3-6-12/h4,7-8H,2-3,5-6H2,1H3,(H,19,21)(H2,17,18,20)/t8-/m0/s1
InChIKeySMISVQGFIXEGGE-QMMMGPOBSA-N
XLogP2.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(pyrimidin-2-ylamino)ethyl]cyclopentanecarboxamide
CID 40150165
N-cyclopentyl-3-{rel-(3S,4R)-3-cyclopropyl-4-[(2-methyl-4-pyrimidinyl)amino]-1-pyrrolidinyl}propanamide dihydrochloride
CID 72867346
N-[rel-(3R,4S)-1-(2,5-dimethyl-4-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-4,4,4-trifluorobutanamide hydrochloride
CID 72872037
N-[1-(cyclopentylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72888219
N-cyclopentyl-3-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 110254123
N-cyclopentyl-3-methyl-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
CID 110269120
N-(4-piperazin-1-ylpyrimidin-2-yl)cyclopentanecarboxamide
CID 172434262
N-cyclopentyl-3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188519
N-Cyclopentyl-2-{1-[2-(ethylamino)-4-pyrimidinyl]-4-piperidyl}acetamide
CID 53189285
2-Cyclohexyl-N-[(3S4R)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-YL)pyrrolidin-3-YL]acetamide
CID 91922867
8-{4-[-(2-Pyrimidinyl)1-piperazinyl]butyl}-8-azaspiro[4,5]decan-7,9-dion
CID 129634069
N-[2,4-Bis(dimethylamino)pyrimidin-5-YL]cyclopentanecarboxamide
CID 71807652

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide (CID 164631144) is N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide is C[C@H](NC(=O)C1(C(F)(F)F)CCCC1)c1nccc(N)n1.
What is the InChIKey of N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is SMISVQGFIXEGGE-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8(10-18-7-4-9(17)20-10)19-11(21)12(13(14,15)16)5-2-3-6-12/h4,7-8H,2-3,5-6H2,1H3,(H,19,21)(H2,17,18,20)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide?
N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-aminopyrimidin-2-yl)ethyl]-1-(trifluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 164631144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).