5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine

C14H18N4O2 — CID 23418

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IUPAC5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
InChIKeyKEEYRKYKLYARHO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.56
Rot. Bonds4

About 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine

5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 23418) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID23418
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C)c(Cc2cnc(N)nc2N)cc1OC
InChIInChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
InChIKeyKEEYRKYKLYARHO-UHFFFAOYSA-N
XLogP1.56
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5578
Diaveridine
CID 21453
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Tetroxoprim
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5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
CID 10247560
2,4-Diamino-5-piperonylpyrimidine
CID 26341
Trimethoprim lactate
CID 3084396
4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenol
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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

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 23418) is 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine is COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC.
What is the InChIKey of 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KEEYRKYKLYARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).