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

C18H26N6 — CID 71836277

IUPACN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nn(C)cc1CN1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H26N6/c1-13-14(10-23(2)22-13)11-24-8-6-15(7-9-24)21-18-16-4-3-5-17(16)19-12-20-18/h10,12,15H,3-9,11H2,1-2H3,(H,19,20,21)
InChIKeyNGAWAMZWOKVYMB-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.08
Rot. Bonds4

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

N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 71836277) 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-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID71836277
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1nn(C)cc1CN1CCC(Nc2ncnc3c2CCC3)CC1
InChIInChI=1S/C18H26N6/c1-13-14(10-23(2)22-13)11-24-8-6-15(7-9-24)21-18-16-4-3-5-17(16)19-12-20-18/h10,12,15H,3-9,11H2,1-2H3,(H,19,20,21)
InChIKeyNGAWAMZWOKVYMB-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 71836277) is N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-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-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1nn(C)cc1CN1CCC(Nc2ncnc3c2CCC3)CC1.
What is the InChIKey of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is NGAWAMZWOKVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-13-14(10-23(2)22-13)11-24-8-6-15(7-9-24)21-18-16-4-3-5-17(16)19-12-20-18/h10,12,15H,3-9,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-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-4-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 71836277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).