N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

C11H19ClN4 — CID 63730048

IUPACN'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1nc(Cl)c(C)c(N(C)CCN(C)C)n1
InChIInChI=1S/C11H19ClN4/c1-8-10(12)13-9(2)14-11(8)16(5)7-6-15(3)4/h6-7H2,1-5H3
InChIKeyJCUJCXWJOPYKGP-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.74
Rot. Bonds4

About N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63730048) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63730048
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC NameN'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1nc(Cl)c(C)c(N(C)CCN(C)C)n1
InChIInChI=1S/C11H19ClN4/c1-8-10(12)13-9(2)14-11(8)16(5)7-6-15(3)4/h6-7H2,1-5H3
InChIKeyJCUJCXWJOPYKGP-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 63730048) is N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is Cc1nc(Cl)c(C)c(N(C)CCN(C)C)n1.
What is the InChIKey of N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is JCUJCXWJOPYKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-8-10(12)13-9(2)14-11(8)16(5)7-6-15(3)4/h6-7H2,1-5H3.
What are the key properties of N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63730048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).