2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine

C17H23N3O3 — CID 133477693

IUPAC2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(Nc2ccc(OC(C)C)c(OC)c2)n1
InChIInChI=1S/C17H23N3O3/c1-11(2)23-14-7-6-13(9-15(14)22-5)19-16-8-12(3)18-17(20-16)10-21-4/h6-9,11H,10H2,1-5H3,(H,18,19,20)
InChIKeyGQVIKOXYKBKSFW-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.47
Rot. Bonds7

About 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine

2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 133477693) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID133477693
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOCc1nc(C)cc(Nc2ccc(OC(C)C)c(OC)c2)n1
InChIInChI=1S/C17H23N3O3/c1-11(2)23-14-7-6-13(9-15(14)22-5)19-16-8-12(3)18-17(20-16)10-21-4/h6-9,11H,10H2,1-5H3,(H,18,19,20)
InChIKeyGQVIKOXYKBKSFW-UHFFFAOYSA-N
XLogP3.47
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925313
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919972
N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine
CID 133477676
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
2-N-(4-chloro-2-methylphenyl)-4-N-(3,4-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930056
N-(1-cyclobutylethyl)-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133417857
N-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914414
(1R)-1-(2,5-dimethoxyphenyl)-2-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 95776964
4-N-(3,4-dimethoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80748315
6-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 133353807
4-N-(3,4-dimethoxyphenyl)-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915400

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine (CID 133477693) is 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine is COCc1nc(C)cc(Nc2ccc(OC(C)C)c(OC)c2)n1.
What is the InChIKey of 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is GQVIKOXYKBKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)23-14-7-6-13(9-15(14)22-5)19-16-8-12(3)18-17(20-16)10-21-4/h6-9,11H,10H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine?
2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 317.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3-methoxy-4-propan-2-yloxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133477693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).