4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine

C14H23N5 — CID 118720440

IUPAC4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C14H23N5/c15-14-18-12(10-5-7-16-8-6-10)9-13(19-14)17-11-3-1-2-4-11/h9-11,16H,1-8H2,(H3,15,17,18,19)
InChIKeyOHYDSBSSHDUAPM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds3

About 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine

4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 118720440) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID118720440
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine
SMILESNc1nc(NC2CCCC2)cc(C2CCNCC2)n1
InChIInChI=1S/C14H23N5/c15-14-18-12(10-5-7-16-8-6-10)9-13(19-14)17-11-3-1-2-4-11/h9-11,16H,1-8H2,(H3,15,17,18,19)
InChIKeyOHYDSBSSHDUAPM-UHFFFAOYSA-N
XLogP1.88
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
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-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
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-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine (CID 118720440) is 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine is Nc1nc(NC2CCCC2)cc(C2CCNCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is OHYDSBSSHDUAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-14-18-12(10-5-7-16-8-6-10)9-13(19-14)17-11-3-1-2-4-11/h9-11,16H,1-8H2,(H3,15,17,18,19).
What are the key properties of 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine?
4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 261.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 118720440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).