6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine

C12H10Cl2FN3O — CID 107530548

IUPAC6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H10Cl2FN3O/c1-19-6-12-17-10(14)5-11(18-12)16-9-4-7(15)2-3-8(9)13/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyMRTOBVYLQWZQQQ-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.81
Rot. Bonds4

About 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine

6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 107530548) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID107530548
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(Cl)cc(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H10Cl2FN3O/c1-19-6-12-17-10(14)5-11(18-12)16-9-4-7(15)2-3-8(9)13/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyMRTOBVYLQWZQQQ-UHFFFAOYSA-N
XLogP3.81
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 113400836
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 107614938
6-chloro-N-[2-(4-fluorophenyl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 82463163
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
6-chloro-N-(2-chloro-5-fluorophenyl)pyrazin-2-amine
CID 107530585
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
6-chloro-N-cyclopentyl-2-(methoxymethyl)pyrimidin-4-amine
CID 82463145
3-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]benzonitrile
CID 113400770
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine (CID 107530548) is 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(Cl)cc(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is MRTOBVYLQWZQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-19-6-12-17-10(14)5-11(18-12)16-9-4-7(15)2-3-8(9)13/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine?
6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 302.14 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 107530548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).