2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine

C14H17N3O2 — CID 82301107

IUPAC2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine
SMILESCOc1ccc(Cc2ncc(N)cn2)c(OC)c1C
InChIInChI=1S/C14H17N3O2/c1-9-12(18-2)5-4-10(14(9)19-3)6-13-16-7-11(15)8-17-13/h4-5,7-8H,6,15H2,1-3H3
InChIKeySNZDOGHCHJQYDA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.98
Rot. Bonds4

About 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine

2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine (PubChem CID 82301107) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine
PubChem CID82301107
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine
SMILESCOc1ccc(Cc2ncc(N)cn2)c(OC)c1C
InChIInChI=1S/C14H17N3O2/c1-9-12(18-2)5-4-10(14(9)19-3)6-13-16-7-11(15)8-17-13/h4-5,7-8H,6,15H2,1-3H3
InChIKeySNZDOGHCHJQYDA-UHFFFAOYSA-N
XLogP1.98
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine
CID 82293774
2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine
CID 82301102
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
3-(2,4-dimethoxy-3-methylphenyl)-2-(methylamino)propanoic acid
CID 116932022
2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
CID 82300056
2-(2,4-dimethoxy-3-methylphenyl)-N'-methylacetohydrazide
CID 116846220
2-[(2,4-dimethoxy-3-methylphenyl)methylamino]acetonitrile
CID 115131002
4-methoxy-2,3-dimethylaniline
CID 11094809
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261302
(2-amino-3,4-dimethoxyphenyl)methanol
CID 139735105
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine (CID 82301107) is 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine is COc1ccc(Cc2ncc(N)cn2)c(OC)c1C.
What is the InChIKey of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine?
The InChIKey is SNZDOGHCHJQYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-12(18-2)5-4-10(14(9)19-3)6-13-16-7-11(15)8-17-13/h4-5,7-8H,6,15H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine?
2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine has a molecular weight of 259.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82301107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).