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

C16H13Cl2N5O — CID 19147139

IUPAC6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)ccc1Cl
InChIInChI=1S/C16H13Cl2N5O/c1-9-6-11(3-4-12(9)18)24-16-14(19)15(21-8-22-16)23-13-5-2-10(17)7-20-13/h2-8H,19H2,1H3,(H,20,21,22,23)
InChIKeyADKWKYFOAPQVFB-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.60
Rot. Bonds4

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

6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 19147139) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID19147139
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)ccc1Cl
InChIInChI=1S/C16H13Cl2N5O/c1-9-6-11(3-4-12(9)18)24-16-14(19)15(21-8-22-16)23-13-5-2-10(17)7-20-13/h2-8H,19H2,1H3,(H,20,21,22,23)
InChIKeyADKWKYFOAPQVFB-UHFFFAOYSA-N
XLogP4.60
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-methylphenyl)pyrimidine-4,5-diamine
CID 22547316
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391
6-(4-chloro-3-methylphenoxy)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19153230
6-(4-chloro-3-methylphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148294
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22547350
6-(4-chloro-3-methylphenoxy)-4-N-propylpyrimidine-4,5-diamine
CID 19135502
4-N-(1,3-benzodioxol-5-yl)-6-(4-chloro-3-methylphenoxy)pyrimidine-4,5-diamine
CID 22542193
4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141766
6-(4-chloro-3-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19153260
4-(4-chloro-3-methylphenoxy)-6-(4-ethylphenoxy)pyrimidin-5-amine
CID 19153248
N'-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]benzohydrazide
CID 19150655
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine (CID 19147139) is 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine is Cc1cc(Oc2ncnc(Nc3ccc(Cl)cn3)c2N)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is ADKWKYFOAPQVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c1-9-6-11(3-4-12(9)18)24-16-14(19)15(21-8-22-16)23-13-5-2-10(17)7-20-13/h2-8H,19H2,1H3,(H,20,21,22,23).
What are the key properties of 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine?
6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 362.22 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methylphenoxy)-4-N-(5-chloro-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19147139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).