N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C16H22N6 — CID 118731848

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCCCC3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C16H22N6/c1-11-10-14(21-20-11)18-15-12-6-5-7-13(12)17-16(19-15)22-8-3-2-4-9-22/h10H,2-9H2,1H3,(H2,17,18,19,20,21)
InChIKeySSPMMVCULALLGW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.73
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 118731848) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID118731848
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCCCC3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C16H22N6/c1-11-10-14(21-20-11)18-15-12-6-5-7-13(12)17-16(19-15)22-8-3-2-4-9-22/h10H,2-9H2,1H3,(H2,17,18,19,20,21)
InChIKeySSPMMVCULALLGW-UHFFFAOYSA-N
XLogP2.73
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 118731848) is N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1cc(Nc2nc(N3CCCCC3)nc3c2CCC3)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is SSPMMVCULALLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-11-10-14(21-20-11)18-15-12-6-5-7-13(12)17-16(19-15)22-8-3-2-4-9-22/h10H,2-9H2,1H3,(H2,17,18,19,20,21).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 118731848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).