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

C16H31N3 — CID 70799136

IUPAC1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCC(CC)CCCN1CCCN2CCCN=C21
InChIInChI=1S/C16H31N3/c1-3-8-15(4-2)9-5-11-18-13-7-14-19-12-6-10-17-16(18)19/h15H,3-14H2,1-2H3
InChIKeyKAEPQWBBOYVWTR-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.36
Rot. Bonds7

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

1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 70799136) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID70799136
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESCCCC(CC)CCCN1CCCN2CCCN=C21
InChIInChI=1S/C16H31N3/c1-3-8-15(4-2)9-5-11-18-13-7-14-19-12-6-10-17-16(18)19/h15H,3-14H2,1-2H3
InChIKeyKAEPQWBBOYVWTR-UHFFFAOYSA-N
XLogP3.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66633649
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CID 66634069
CID 66634069
CID 87357703
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CID 87357937
CID 87357937
CID 89601356
CID 89601356
CID 89601484
CID 89601484
CID 90946232
CID 90946232
CID 91100809
CID 91100809
CID 91250141
CID 91250141

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 70799136) is 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is CCCC(CC)CCCN1CCCN2CCCN=C21.
What is the InChIKey of 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is KAEPQWBBOYVWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-8-15(4-2)9-5-11-18-13-7-14-19-12-6-10-17-16(18)19/h15H,3-14H2,1-2H3.
What are the key properties of 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 265.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylheptyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 70799136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).