N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine

C13H23N5 — CID 81223644

IUPACN,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C)c1ncnc2c1CNCC2
InChIInChI=1S/C13H23N5/c1-17(2)7-4-8-18(3)13-11-9-14-6-5-12(11)15-10-16-13/h10,14H,4-9H2,1-3H3
InChIKeyYPONDIVOXXLSLK-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.51
Rot. Bonds5

About N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 81223644) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID81223644
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCN(C)c1ncnc2c1CNCC2
InChIInChI=1S/C13H23N5/c1-17(2)7-4-8-18(3)13-11-9-14-6-5-12(11)15-10-16-13/h10,14H,4-9H2,1-3H3
InChIKeyYPONDIVOXXLSLK-UHFFFAOYSA-N
XLogP0.51
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine (CID 81223644) is N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine is CN(C)CCCN(C)c1ncnc2c1CNCC2.
What is the InChIKey of N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is YPONDIVOXXLSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-17(2)7-4-8-18(3)13-11-9-14-6-5-12(11)15-10-16-13/h10,14H,4-9H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 249.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 81223644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).