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

C19H27N7 — CID 102333927

IUPAC1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESc1cc(N2CCCN3CCCN=C32)nc(N2CCCN3CCCN=C32)c1
InChIInChI=1S/C19H27N7/c1-6-16(25-14-4-12-23-10-2-8-20-18(23)25)22-17(7-1)26-15-5-13-24-11-3-9-21-19(24)26/h1,6-7H,2-5,8-15H2
InChIKeyRZCLIGMOVOTMMO-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.63
Rot. Bonds2

About 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-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)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 102333927) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-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)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID102333927
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESc1cc(N2CCCN3CCCN=C32)nc(N2CCCN3CCCN=C32)c1
InChIInChI=1S/C19H27N7/c1-6-16(25-14-4-12-23-10-2-8-20-18(23)25)22-17(7-1)26-15-5-13-24-11-3-9-21-19(24)26/h1,6-7H,2-5,8-15H2
InChIKeyRZCLIGMOVOTMMO-UHFFFAOYSA-N
XLogP1.63
TPSA50.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-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)-2-pyridinyl]-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)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 102333927) is 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-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)-2-pyridinyl]-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)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is c1cc(N2CCCN3CCCN=C32)nc(N2CCCN3CCCN=C32)c1.
What is the InChIKey of 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is RZCLIGMOVOTMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7/c1-6-16(25-14-4-12-23-10-2-8-20-18(23)25)22-17(7-1)26-15-5-13-24-11-3-9-21-19(24)26/h1,6-7H,2-5,8-15H2.
What are the key properties of 1-[6-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-2-pyridinyl]-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)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 353.47 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 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)-2-pyridinyl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 102333927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).