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

C15H26N6 — CID 101365137

IUPAC1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CN=C2N(C1)CCCN2CN1CCCN2CCCN=C21
InChIInChI=1S/C15H26N6/c1-5-16-14-18(7-1)9-3-11-20(14)13-21-12-4-10-19-8-2-6-17-15(19)21/h1-13H2
InChIKeyQTEQFLAXLRVDEJ-UHFFFAOYSA-N
MW290.42 g/mol
LogP0.48
Rot. Bonds2

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

1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 101365137) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID101365137
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CN=C2N(C1)CCCN2CN1CCCN2CCCN=C21
InChIInChI=1S/C15H26N6/c1-5-16-14-18(7-1)9-3-11-20(14)13-21-12-4-10-19-8-2-6-17-15(19)21/h1-13H2
InChIKeyQTEQFLAXLRVDEJ-UHFFFAOYSA-N
XLogP0.48
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-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-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 101365137) is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is C1CN=C2N(C1)CCCN2CN1CCCN2CCCN=C21.
What is the InChIKey of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is QTEQFLAXLRVDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-5-16-14-18(7-1)9-3-11-20(14)13-21-12-4-10-19-8-2-6-17-15(19)21/h1-13H2.
What are the key properties of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 290.42 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-ylmethyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 101365137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).