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

C20H30N6 — CID 118731853

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CCN(c2nc3c(c(Nc4cc(C(C)(C)C)[nH]n4)n2)CCC3)CC1
InChIInChI=1S/C20H30N6/c1-13-8-10-26(11-9-13)19-21-15-7-5-6-14(15)18(23-19)22-17-12-16(24-25-17)20(2,3)4/h12-13H,5-11H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyVCXSLLRDWAZZLU-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.97
Rot. Bonds3

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

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 118731853) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID118731853
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CCN(c2nc3c(c(Nc4cc(C(C)(C)C)[nH]n4)n2)CCC3)CC1
InChIInChI=1S/C20H30N6/c1-13-8-10-26(11-9-13)19-21-15-7-5-6-14(15)18(23-19)22-17-12-16(24-25-17)20(2,3)4/h12-13H,5-11H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyVCXSLLRDWAZZLU-UHFFFAOYSA-N
XLogP3.97
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 118731853) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC1CCN(c2nc3c(c(Nc4cc(C(C)(C)C)[nH]n4)n2)CCC3)CC1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is VCXSLLRDWAZZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-13-8-10-26(11-9-13)19-21-15-7-5-6-14(15)18(23-19)22-17-12-16(24-25-17)20(2,3)4/h12-13H,5-11H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 354.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-methylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 118731853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).