6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine

C18H16Cl2N4O — CID 22547316

IUPAC6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cc(Oc2ncnc(Nc3cc(Cl)ccc3C)c2N)ccc1Cl
InChIInChI=1S/C18H16Cl2N4O/c1-10-3-4-12(19)8-15(10)24-17-16(21)18(23-9-22-17)25-13-5-6-14(20)11(2)7-13/h3-9H,21H2,1-2H3,(H,22,23,24)
InChIKeyYHQHMZJJFTYHGR-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.52
Rot. Bonds4

About 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine

6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 22547316) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
PubChem CID22547316
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1cc(Oc2ncnc(Nc3cc(Cl)ccc3C)c2N)ccc1Cl
InChIInChI=1S/C18H16Cl2N4O/c1-10-3-4-12(19)8-15(10)24-17-16(21)18(23-9-22-17)25-13-5-6-14(20)11(2)7-13/h3-9H,21H2,1-2H3,(H,22,23,24)
InChIKeyYHQHMZJJFTYHGR-UHFFFAOYSA-N
XLogP5.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594
6-(4-bromophenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547356
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
CID 19147139
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
4-N-(5-chloro-2-methoxyphenyl)-6-(4-methylphenoxy)pyrimidine-4,5-diamine
CID 22546079
6-(4-chloro-3-methylphenoxy)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19153230
4-N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine
CID 22542193
4-N-(5-chloro-2-methylphenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22547262
4-N-(2,5-dichlorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19146760

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine (CID 22547316) is 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine is Cc1cc(Oc2ncnc(Nc3cc(Cl)ccc3C)c2N)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is YHQHMZJJFTYHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-10-3-4-12(19)8-15(10)24-17-16(21)18(23-9-22-17)25-13-5-6-14(20)11(2)7-13/h3-9H,21H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine?
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 375.26 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22547316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).