4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine

C13H14ClN3O — CID 54402398

IUPAC4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine
SMILESCOCc1cc(Cl)nc(Nc2ccccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-9-5-3-4-6-11(9)16-13-15-10(8-18-2)7-12(14)17-13/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyVOIQVLQKMUVNBW-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.33
Rot. Bonds4

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

4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine (PubChem CID 54402398) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine
PubChem CID54402398
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine
SMILESCOCc1cc(Cl)nc(Nc2ccccc2C)n1
InChIInChI=1S/C13H14ClN3O/c1-9-5-3-4-6-11(9)16-13-15-10(8-18-2)7-12(14)17-13/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyVOIQVLQKMUVNBW-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-fluoro-4-methylphenyl)-6-(methoxymethyl)pyrimidin-2-amine
CID 94674117
4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 94674112
4-chloro-N-(cyclopropylmethyl)-6-(methoxymethyl)pyrimidin-2-amine
CID 94674680
6-(bromomethyl)-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine
CID 67948626
4,6-dichloro-N-(5-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 86045530
2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
CID 114754588
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
2-N,4-N-bis(2-methylphenyl)-6-[(3,5,6-trichloro-2-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 15363628
4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942
6-methyl-2-N,4-N-bis(2-methylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 67948246
4-N-methyl-2-N-(2-methylphenyl)-6-(methylsulfanylmethyl)-4-N-phenylpyrimidine-2,4-diamine
CID 54054006
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-amino-3,5-dichlorobenzoate
CID 18226008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine (CID 54402398) is 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine is COCc1cc(Cl)nc(Nc2ccccc2C)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
The InChIKey is VOIQVLQKMUVNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-5-3-4-6-11(9)16-13-15-10(8-18-2)7-12(14)17-13/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine?
4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine has a molecular weight of 263.73 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-N-(2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 54402398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).