2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C12H21ClN4O — CID 103190317

IUPAC2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncnc(Cl)c1OC)C(C)CN(C)C
InChIInChI=1S/C12H21ClN4O/c1-6-17(9(2)7-16(3)4)12-10(18-5)11(13)14-8-15-12/h8-9H,6-7H2,1-5H3
InChIKeyWPAIMVAFUSVJKZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.91
Rot. Bonds6

About 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190317) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190317
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(c1ncnc(Cl)c1OC)C(C)CN(C)C
InChIInChI=1S/C12H21ClN4O/c1-6-17(9(2)7-16(3)4)12-10(18-5)11(13)14-8-15-12/h8-9H,6-7H2,1-5H3
InChIKeyWPAIMVAFUSVJKZ-UHFFFAOYSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190317) is 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(c1ncnc(Cl)c1OC)C(C)CN(C)C.
What is the InChIKey of 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is WPAIMVAFUSVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-6-17(9(2)7-16(3)4)12-10(18-5)11(13)14-8-15-12/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 272.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-chloro-5-methoxypyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).