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

C18H18ClN5O — CID 19144668

IUPAC6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cccnc1Nc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N
InChIInChI=1S/C18H18ClN5O/c1-10-5-4-6-21-16(10)24-17-15(20)18(23-9-22-17)25-13-7-11(2)14(19)12(3)8-13/h4-9H,20H2,1-3H3,(H,21,22,23,24)
InChIKeySIQYTANQKXIYOE-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.57
Rot. Bonds4

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

6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (PubChem CID 19144668) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
PubChem CID19144668
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
SMILESCc1cccnc1Nc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N
InChIInChI=1S/C18H18ClN5O/c1-10-5-4-6-21-16(10)24-17-15(20)18(23-9-22-17)25-13-7-11(2)14(19)12(3)8-13/h4-9H,20H2,1-3H3,(H,21,22,23,24)
InChIKeySIQYTANQKXIYOE-UHFFFAOYSA-N
XLogP4.57
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144708
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-ethylphenyl)pyrimidine-4,5-diamine
CID 22544181
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2,5-difluorophenyl)pyrimidine-4,5-diamine
CID 19153183
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144945
4-N-(4-butoxyphenyl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 19143073
methyl 2-[[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]amino]benzoate
CID 19146270
6-(5-bromoquinolin-8-yl)oxy-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19144661
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151839
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150825
6-N-(5-chloro-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144597

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine (CID 19144668) is 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is Cc1cccnc1Nc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N.
What is the InChIKey of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
The InChIKey is SIQYTANQKXIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-10-5-4-6-21-16(10)24-17-15(20)18(23-9-22-17)25-13-7-11(2)14(19)12(3)8-13/h4-9H,20H2,1-3H3,(H,21,22,23,24).
What are the key properties of 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine?
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine has a molecular weight of 355.83 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylphenoxy)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).