1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

C14H17ClN4 — CID 113297856

IUPAC1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCc1nc(Cl)c(C)c(Nc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H17ClN4/c1-9-13(15)16-10(2)17-14(9)18-11-6-5-7-12(8-11)19(3)4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyOQFMCZYOMZDSCQ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.56
Rot. Bonds3

About 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 113297856) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID113297856
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCc1nc(Cl)c(C)c(Nc2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H17ClN4/c1-9-13(15)16-10(2)17-14(9)18-11-6-5-7-12(8-11)19(3)4/h5-8H,1-4H3,(H,16,17,18)
InChIKeyOQFMCZYOMZDSCQ-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 113297856) is 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is Cc1nc(Cl)c(C)c(Nc2cccc(N(C)C)c2)n1.
What is the InChIKey of 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is OQFMCZYOMZDSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-13(15)16-10(2)17-14(9)18-11-6-5-7-12(8-11)19(3)4/h5-8H,1-4H3,(H,16,17,18).
What are the key properties of 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 113297856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).