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

C17H31N3 — CID 123487212

IUPAC1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCCC(CCCN2CCCN3CCCN=C32)CC1
InChIInChI=1S/C17H31N3/c1-2-4-9-16(8-3-1)10-5-12-19-14-7-15-20-13-6-11-18-17(19)20/h16H,1-15H2
InChIKeyYXINRFYWWVMWOS-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.50
Rot. Bonds4

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

1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 123487212) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID123487212
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCCC(CCCN2CCCN3CCCN=C32)CC1
InChIInChI=1S/C17H31N3/c1-2-4-9-16(8-3-1)10-5-12-19-14-7-15-20-13-6-11-18-17(19)20/h16H,1-15H2
InChIKeyYXINRFYWWVMWOS-UHFFFAOYSA-N
XLogP3.50
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 123487212) is 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is C1CCCC(CCCN2CCCN3CCCN=C32)CC1.
What is the InChIKey of 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is YXINRFYWWVMWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-4-9-16(8-3-1)10-5-12-19-14-7-15-20-13-6-11-18-17(19)20/h16H,1-15H2.
What are the key properties of 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 277.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 123487212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).