4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

C14H23N5 — CID 90655027

IUPAC4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyJVAPCPQDDCZQRB-NSHDSACASA-N
MW261.37 g/mol
LogP1.51
Rot. Bonds3

About 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine

4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 90655027) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID90655027
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCN[C@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1
InChIInChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m0/s1
InChIKeyJVAPCPQDDCZQRB-NSHDSACASA-N
XLogP1.51
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 24798232
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777258
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-(1-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 66740859
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine (CID 90655027) is 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is CN[C@H]1CCN(c2cc(C3CCCC3)nc(N)n2)C1.
What is the InChIKey of 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is JVAPCPQDDCZQRB-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m0/s1.
What are the key properties of 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine?
4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 90655027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).