5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

C13H15ClN4O — CID 126610862

IUPAC5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1cccc(N(C)c2nc(C)nc(N)c2Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8-16-12(15)11(14)13(17-8)18(2)9-5-4-6-10(7-9)19-3/h4-7H,1-3H3,(H2,15,16,17)
InChIKeyOADJIUWCOTUATB-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.80
Rot. Bonds3

About 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 126610862) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID126610862
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCOc1cccc(N(C)c2nc(C)nc(N)c2Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8-16-12(15)11(14)13(17-8)18(2)9-5-4-6-10(7-9)19-3/h4-7H,1-3H3,(H2,15,16,17)
InChIKeyOADJIUWCOTUATB-UHFFFAOYSA-N
XLogP2.80
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (CID 126610862) is 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is COc1cccc(N(C)c2nc(C)nc(N)c2Cl)c1.
What is the InChIKey of 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is OADJIUWCOTUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8-16-12(15)11(14)13(17-8)18(2)9-5-4-6-10(7-9)19-3/h4-7H,1-3H3,(H2,15,16,17).
What are the key properties of 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 278.74 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 126610862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).