6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

C15H29N3 — CID 141373624

IUPAC6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCCC(CC)CC1CCNC2=NCCCN21
InChIInChI=1S/C15H29N3/c1-3-5-7-13(4-2)12-14-8-10-17-15-16-9-6-11-18(14)15/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyGYQBYCJUMQQOMZ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.02
Rot. Bonds6

About 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine

6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (PubChem CID 141373624) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
PubChem CID141373624
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
SMILESCCCCC(CC)CC1CCNC2=NCCCN21
InChIInChI=1S/C15H29N3/c1-3-5-7-13(4-2)12-14-8-10-17-15-16-9-6-11-18(14)15/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyGYQBYCJUMQQOMZ-UHFFFAOYSA-N
XLogP3.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(Cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111993709
10-Methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71595969
(3R,5S,9R,11S)-3,11-bis(4-methylpentyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71596060
11-Methyl-3-(4-methylpentyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71596290
1,1-Dicyclohexyl-2,3-bis(2-ethylhexyl)guanidine
CID 19826641
N, N-Bis(2-ethylhexyl)-N', N"-dicyclohexylguanidine
CID 19826647
2,5,8-trimethyl-4,4a,5,6,7,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine
CID 53890820
N,N',4-tri(propan-2-yl)piperidine-1-carboximidamide
CID 58689256
N-[(1-tert-butylpiperidin-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 59096672
1-(2-Ethylhexyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
CID 66633649
6-butyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 66633673
6-cyclohexyl-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 66634316

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The IUPAC name of 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine (CID 141373624) is 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The canonical SMILES for 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is CCCCC(CC)CC1CCNC2=NCCCN21.
What is the InChIKey of 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
The InChIKey is GYQBYCJUMQQOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-5-7-13(4-2)12-14-8-10-17-15-16-9-6-11-18(14)15/h13-14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine?
6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine has a molecular weight of 251.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 141373624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).