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

C20H30N6 — CID 118731854

IUPAC2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C20H30N6/c1-20(2,3)16-13-17(25-24-16)22-18-14-9-8-10-15(14)21-19(23-18)26-11-6-4-5-7-12-26/h13H,4-12H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyHOYIGXCRCXIECG-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.11
Rot. Bonds3

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

2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 118731854) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID118731854
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1
InChIInChI=1S/C20H30N6/c1-20(2,3)16-13-17(25-24-16)22-18-14-9-8-10-15(14)21-19(23-18)26-11-6-4-5-7-12-26/h13H,4-12H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyHOYIGXCRCXIECG-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 118731854) is 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC(C)(C)c1cc(Nc2nc(N3CCCCCC3)nc3c2CCC3)n[nH]1.
What is the InChIKey of 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is HOYIGXCRCXIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-20(2,3)16-13-17(25-24-16)22-18-14-9-8-10-15(14)21-19(23-18)26-11-6-4-5-7-12-26/h13H,4-12H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 354.50 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 118731854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).