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

C9H18N4 — CID 137448248

IUPAC1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine
SMILESCNCN1CCCN2CCCN=C21
InChIInChI=1S/C9H18N4/c1-10-8-13-7-3-6-12-5-2-4-11-9(12)13/h10H,2-8H2,1H3
InChIKeyQCOQSUZHILYPFK-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.07
Rot. Bonds2

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

1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine (PubChem CID 137448248) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine
PubChem CID137448248
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine
SMILESCNCN1CCCN2CCCN=C21
InChIInChI=1S/C9H18N4/c1-10-8-13-7-3-6-12-5-2-4-11-9(12)13/h10H,2-8H2,1H3
InChIKeyQCOQSUZHILYPFK-UHFFFAOYSA-N
XLogP-0.07
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine (CID 137448248) is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine is CNCN1CCCN2CCCN=C21.
What is the InChIKey of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine?
The InChIKey is QCOQSUZHILYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-10-8-13-7-3-6-12-5-2-4-11-9(12)13/h10H,2-8H2,1H3.
What are the key properties of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine?
1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-N-methylmethanamine has a molecular weight of 182.27 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-yl)-N-methylmethanamine is sourced from PubChem (CID 137448248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).