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

C18H26N6 — CID 71819833

IUPACN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nn(C)cc1CN1CCCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C18H26N6/c1-13-14(9-23(2)22-13)10-24-8-4-5-15(11-24)21-18-16-6-3-7-17(16)19-12-20-18/h9,12,15H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyDMKOMZDAVIIELM-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.08
Rot. Bonds4

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

N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 71819833) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID71819833
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nn(C)cc1CN1CCCC(Nc2ncnc3c2CCC3)C1
InChIInChI=1S/C18H26N6/c1-13-14(9-23(2)22-13)10-24-8-4-5-15(11-24)21-18-16-6-3-7-17(16)19-12-20-18/h9,12,15H,3-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyDMKOMZDAVIIELM-UHFFFAOYSA-N
XLogP2.08
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 71819833) is N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1nn(C)cc1CN1CCCC(Nc2ncnc3c2CCC3)C1.
What is the InChIKey of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is DMKOMZDAVIIELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13-14(9-23(2)22-13)10-24-8-4-5-15(11-24)21-18-16-6-3-7-17(16)19-12-20-18/h9,12,15H,3-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 326.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 71819833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).