6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C16H21N3O2 — CID 62318785

IUPAC6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-11(2)21-14-7-5-12(6-8-14)16-18-13(10-20-4)9-15(17-3)19-16/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeyVVYZLMGKVIKDJX-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.12
Rot. Bonds6

About 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 62318785) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID62318785
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H21N3O2/c1-11(2)21-14-7-5-12(6-8-14)16-18-13(10-20-4)9-15(17-3)19-16/h5-9,11H,10H2,1-4H3,(H,17,18,19)
InChIKeyVVYZLMGKVIKDJX-UHFFFAOYSA-N
XLogP3.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318946
N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 63479154
2-(4-fluoro-3-methylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62320043
2-(3-chloro-4-methoxyphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 65022275
2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63087865
2-(3-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062778
2-(3-cyclopropylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 79980046
2-(2,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62320242
[2-(4-tert-butylphenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 62321054
5-bromo-6-(methoxymethyl)-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66295836
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
2-(4-propan-2-yloxyphenyl)-6-propylpyrimidin-4-amine
CID 62203678

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 62318785) is 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CNc1cc(COC)nc(-c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is VVYZLMGKVIKDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)21-14-7-5-12(6-8-14)16-18-13(10-20-4)9-15(17-3)19-16/h5-9,11H,10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-methyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62318785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).