2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine

C14H17N3O — CID 82293774

IUPAC2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine
SMILESCOc1cc(C)c(Cc2ncc(N)cn2)cc1C
InChIInChI=1S/C14H17N3O/c1-9-5-13(18-3)10(2)4-11(9)6-14-16-7-12(15)8-17-14/h4-5,7-8H,6,15H2,1-3H3
InChIKeyLJYHBURYQYHJEC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.28
Rot. Bonds3

About 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine

2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine (PubChem CID 82293774) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine
PubChem CID82293774
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine
SMILESCOc1cc(C)c(Cc2ncc(N)cn2)cc1C
InChIInChI=1S/C14H17N3O/c1-9-5-13(18-3)10(2)4-11(9)6-14-16-7-12(15)8-17-14/h4-5,7-8H,6,15H2,1-3H3
InChIKeyLJYHBURYQYHJEC-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine
CID 82301102
2-[(2,4-dimethoxy-3-methylphenyl)methyl]pyrimidin-5-amine
CID 82301107
1-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-2-amine
CID 82126568
2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
CID 82300056
[1-amino-2-(4-methoxy-2,5-dimethylphenyl)ethylidene]azanium
CID 6347155
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
5-(2,5-dimethoxy-4-methylphenyl)-1,3-oxazol-2-amine
CID 82290583
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine (CID 82293774) is 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine is COc1cc(C)c(Cc2ncc(N)cn2)cc1C.
What is the InChIKey of 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine?
The InChIKey is LJYHBURYQYHJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-13(18-3)10(2)4-11(9)6-14-16-7-12(15)8-17-14/h4-5,7-8H,6,15H2,1-3H3.
What are the key properties of 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine?
2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82293774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).