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

C16H29N3 — CID 123410772

IUPAC1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCC(CCCN2CCCN3CCCN=C32)CC1
InChIInChI=1S/C16H29N3/c1-2-7-15(8-3-1)9-4-11-18-13-6-14-19-12-5-10-17-16(18)19/h15H,1-14H2
InChIKeyZRRBQDJYKGYTMC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.11
Rot. Bonds4

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

1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 123410772) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID123410772
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCC(CCCN2CCCN3CCCN=C32)CC1
InChIInChI=1S/C16H29N3/c1-2-7-15(8-3-1)9-4-11-18-13-6-14-19-12-5-10-17-16(18)19/h15H,1-14H2
InChIKeyZRRBQDJYKGYTMC-UHFFFAOYSA-N
XLogP3.11
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 123410772) is 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is C1CCC(CCCN2CCCN3CCCN=C32)CC1.
What is the InChIKey of 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is ZRRBQDJYKGYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-2-7-15(8-3-1)9-4-11-18-13-6-14-19-12-5-10-17-16(18)19/h15H,1-14H2.
What are the key properties of 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 263.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 123410772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).