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

C18H26N8 — CID 102227135

IUPAC1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESc1nc(N2CCCN3CCCN=C32)cc(N2CCCN3CCCN=C32)n1
InChIInChI=1S/C18H26N8/c1-5-19-17-23(7-1)9-3-11-25(17)15-13-16(22-14-21-15)26-12-4-10-24-8-2-6-20-18(24)26/h13-14H,1-12H2
InChIKeyLQAHGZXQZXOKMV-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.02
Rot. Bonds2

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

1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 102227135) has the molecular formula C18H26N8 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID102227135
Molecular FormulaC18H26N8
Molecular Weight354.46 g/mol
Exact Mass354.23
IUPAC Name1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESc1nc(N2CCCN3CCCN=C32)cc(N2CCCN3CCCN=C32)n1
InChIInChI=1S/C18H26N8/c1-5-19-17-23(7-1)9-3-11-25(17)15-13-16(22-14-21-15)26-12-4-10-24-8-2-6-20-18(24)26/h13-14H,1-12H2
InChIKeyLQAHGZXQZXOKMV-UHFFFAOYSA-N
XLogP1.02
TPSA63.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 102227135) is 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is c1nc(N2CCCN3CCCN=C32)cc(N2CCCN3CCCN=C32)n1.
What is the InChIKey of 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is LQAHGZXQZXOKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8/c1-5-19-17-23(7-1)9-3-11-25(17)15-13-16(22-14-21-15)26-12-4-10-24-8-2-6-20-18(24)26/h13-14H,1-12H2.
What are the key properties of 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 354.46 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)pyrimidin-4-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 102227135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).