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

C16H25N5 — CID 141392242

IUPACN-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
SMILESc1cc(N2CCC3(CCCN3)C2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H25N5/c1-2-5-13(4-1)19-15-17-10-6-14(20-15)21-11-8-16(12-21)7-3-9-18-16/h6,10,13,18H,1-5,7-9,11-12H2,(H,17,19,20)
InChIKeyGHZHVQJUTZCTLS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.16
Rot. Bonds3

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

N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine (PubChem CID 141392242) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
PubChem CID141392242
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
SMILESc1cc(N2CCC3(CCCN3)C2)nc(NC2CCCC2)n1
InChIInChI=1S/C16H25N5/c1-2-5-13(4-1)19-15-17-10-6-14(20-15)21-11-8-16(12-21)7-3-9-18-16/h6,10,13,18H,1-5,7-9,11-12H2,(H,17,19,20)
InChIKeyGHZHVQJUTZCTLS-UHFFFAOYSA-N
XLogP2.16
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-(azepan-1-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 66903769
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
4-(5,5-dioxo-5λ6-thia-8-azaspiro[3.5]nonan-8-yl)-N-piperidin-3-ylpyrimidin-2-amine
CID 167895318
4-(3-aminopyrrolidin-1-yl)-N-cyclobutylpyrimidin-2-amine
CID 76709122
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cycloheptylazepan-3-amine
CID 66904387
4-morpholin-4-yl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 171340440
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-cyclopentylazepan-3-amine
CID 66903248
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide
CID 67083674

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine (CID 141392242) is N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine is c1cc(N2CCC3(CCCN3)C2)nc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
The InChIKey is GHZHVQJUTZCTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-5-13(4-1)19-15-17-10-6-14(20-15)21-11-8-16(12-21)7-3-9-18-16/h6,10,13,18H,1-5,7-9,11-12H2,(H,17,19,20).
What are the key properties of N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine?
N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine is sourced from PubChem (CID 141392242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).