4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine

C16H25N5 — CID 24996854

IUPAC4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1
InChIInChI=1S/C16H25N5/c17-15-19-13(12-4-1-2-5-12)10-14(20-15)21-9-7-16(11-21)6-3-8-18-16/h10,12,18H,1-9,11H2,(H2,17,19,20)
InChIKeyBJCCJZOEFDQQHO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.05
Rot. Bonds2

About 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine

4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine (PubChem CID 24996854) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
PubChem CID24996854
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1
InChIInChI=1S/C16H25N5/c17-15-19-13(12-4-1-2-5-12)10-14(20-15)21-9-7-16(11-21)6-3-8-18-16/h10,12,18H,1-9,11H2,(H2,17,19,20)
InChIKeyBJCCJZOEFDQQHO-UHFFFAOYSA-N
XLogP2.05
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine (CID 24996854) is 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2CCC3(CCCN3)C2)n1.
What is the InChIKey of 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
The InChIKey is BJCCJZOEFDQQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c17-15-19-13(12-4-1-2-5-12)10-14(20-15)21-9-7-16(11-21)6-3-8-18-16/h10,12,18H,1-9,11H2,(H2,17,19,20).
What are the key properties of 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine is sourced from PubChem (CID 24996854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).