5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine

C14H18N4O — CID 12655201

IUPAC5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1c(C)cc(Cc2cnc(N)nc2N)cc1C
InChIInChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
InChIKeyDOUDCSREUZJYFB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.86
Rot. Bonds3

About 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine

5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 12655201) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID12655201
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1c(C)cc(Cc2cnc(N)nc2N)cc1C
InChIInChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18)
InChIKeyDOUDCSREUZJYFB-UHFFFAOYSA-N
XLogP1.86
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Trimethoprim
CID 5578
Diaveridine
CID 21453
(+-)-Ancymidol
CID 25572
Ormetoprim
CID 23418
Thonzylamine
CID 5457
2,4-Diamino-5-piperonylpyrimidine
CID 26341
2,4-Diamino-5-[3',4'-Dimethoxy-5'-(5-Carboxyl-1-Pentynyl)]benzyl Pyrimidine
CID 5271440
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109
2,4-Pyrimidinediamine, 5-((3-methoxy-4-(phenylmethoxy)phenyl)methyl)-
CID 463124
GW-2580
CID 11617559
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine (CID 12655201) is 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine is COc1c(C)cc(Cc2cnc(N)nc2N)cc1C.
What is the InChIKey of 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DOUDCSREUZJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8-4-10(5-9(2)12(8)19-3)6-11-7-17-14(16)18-13(11)15/h4-5,7H,6H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 12655201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).