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

C14H23N5 — CID 58227085

IUPACN-cyclopentyl-4-[(3S)-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-/m0/s1
InChIKeyOKIQJSAUFFVQPX-LBPRGKRZSA-N
MW261.37 g/mol
LogP1.63
Rot. Bonds4

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

N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 58227085) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID58227085
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-cyclopentyl-4-[(3S)-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-/m0/s1
InChIKeyOKIQJSAUFFVQPX-LBPRGKRZSA-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 58227085) is N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[(3S)-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-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is OKIQJSAUFFVQPX-LBPRGKRZSA-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-/m0/s1.
What are the key properties of N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[(3S)-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-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 58227085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).