N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C12H21N5 — CID 81223557

IUPACN,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncnc2c1CNCC2
InChIInChI=1S/C12H21N5/c1-16(2)6-7-17(3)12-10-8-13-5-4-11(10)14-9-15-12/h9,13H,4-8H2,1-3H3
InChIKeyCWULARCRCDUTTK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.12
Rot. Bonds4

About N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 81223557) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID81223557
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN(C)CCN(C)c1ncnc2c1CNCC2
InChIInChI=1S/C12H21N5/c1-16(2)6-7-17(3)12-10-8-13-5-4-11(10)14-9-15-12/h9,13H,4-8H2,1-3H3
InChIKeyCWULARCRCDUTTK-UHFFFAOYSA-N
XLogP0.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.12
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)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 81223557) is N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine is CN(C)CCN(C)c1ncnc2c1CNCC2.
What is the InChIKey of N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is CWULARCRCDUTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-16(2)6-7-17(3)12-10-8-13-5-4-11(10)14-9-15-12/h9,13H,4-8H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 235.33 g/mol, XLogP of 0.12, 4 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)ethane-1,2-diamine is sourced from PubChem (CID 81223557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).