N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C14H23N5 — CID 58227252

IUPACN-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1
InChIInChI=1S/C14H23N5/c1-15-12-7-9-19(10-12)13-6-8-16-14(18-13)17-11-4-2-3-5-11/h6,8,11-12,15H,2-5,7,9-10H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyOKIQJSAUFFVQPX-GFCCVEGCSA-N
MW261.37 g/mol
LogP1.63
Rot. Bonds4

About N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 58227252) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID58227252
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1
InChIInChI=1S/C14H23N5/c1-15-12-7-9-19(10-12)13-6-8-16-14(18-13)17-11-4-2-3-5-11/h6,8,11-12,15H,2-5,7,9-10H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyOKIQJSAUFFVQPX-GFCCVEGCSA-N
XLogP1.63
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227148
2-methyl-1-[[4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-yl]amino]propan-2-ol
CID 58227103
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyrimidin-2-amine
CID 67087373
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
4-(azepan-1-yl)-N-(1-cyclooctylpyrrolidin-3-yl)pyrimidin-2-amine
CID 66904117
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996646
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
CID 66903248

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 58227252) is N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@@H]1CCN(c2ccnc(NC3CCCC3)n2)C1.
What is the InChIKey of N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is OKIQJSAUFFVQPX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5/c1-15-12-7-9-19(10-12)13-6-8-16-14(18-13)17-11-4-2-3-5-11/h6,8,11-12,15H,2-5,7,9-10H2,1H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 58227252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).