6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine

C19H19ClN4O — CID 19144528

IUPAC6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
SMILESCc1cc(Oc2ncnc(N(C)c3ccccc3)c2N)cc(C)c1Cl
InChIInChI=1S/C19H19ClN4O/c1-12-9-15(10-13(2)16(12)20)25-19-17(21)18(22-11-23-19)24(3)14-7-5-4-6-8-14/h4-11H,21H2,1-3H3
InChIKeyVKOITKOUJWPLQP-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.89
Rot. Bonds4

About 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine

6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine (PubChem CID 19144528) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
PubChem CID19144528
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
SMILESCc1cc(Oc2ncnc(N(C)c3ccccc3)c2N)cc(C)c1Cl
InChIInChI=1S/C19H19ClN4O/c1-12-9-15(10-13(2)16(12)20)25-19-17(21)18(22-11-23-19)24(3)14-7-5-4-6-8-14/h4-11H,21H2,1-3H3
InChIKeyVKOITKOUJWPLQP-UHFFFAOYSA-N
XLogP4.89
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144569
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544181
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152184
4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-5-amine
CID 19139347
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144668
methyl 2-[[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoate
CID 19146270
4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543307
4-N-ethyl-6-(4-methylphenoxy)-4-N-phenylpyrimidine-4,5-diamine
CID 22539877
6-(3,4-dimethylphenoxy)-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
CID 22527047
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144945

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine (CID 19144528) is 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine is Cc1cc(Oc2ncnc(N(C)c3ccccc3)c2N)cc(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
The InChIKey is VKOITKOUJWPLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12-9-15(10-13(2)16(12)20)25-19-17(21)18(22-11-23-19)24(3)14-7-5-4-6-8-14/h4-11H,21H2,1-3H3.
What are the key properties of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine?
6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine has a molecular weight of 354.84 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 19144528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).