1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

C15H27N3 — CID 59121109

IUPAC1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCC(C)(C1CCCC1)N1CCCN2CCCN=C21
InChIInChI=1S/C15H27N3/c1-15(2,13-7-3-4-8-13)18-12-6-11-17-10-5-9-16-14(17)18/h13H,3-12H2,1-2H3
InChIKeyWMPOUTGDHPPFRK-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.72
Rot. Bonds2

About 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 59121109) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID59121109
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCC(C)(C1CCCC1)N1CCCN2CCCN=C21
InChIInChI=1S/C15H27N3/c1-15(2,13-7-3-4-8-13)18-12-6-11-17-10-5-9-16-14(17)18/h13H,3-12H2,1-2H3
InChIKeyWMPOUTGDHPPFRK-UHFFFAOYSA-N
XLogP2.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 59121109) is 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is CC(C)(C1CCCC1)N1CCCN2CCCN=C21.
What is the InChIKey of 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is WMPOUTGDHPPFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-15(2,13-7-3-4-8-13)18-12-6-11-17-10-5-9-16-14(17)18/h13H,3-12H2,1-2H3.
What are the key properties of 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 249.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylpropan-2-yl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 59121109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).