5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

C20H22N4O3 — CID 10937436

IUPAC5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(26-2)18(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24)
InChIKeyNEBFMAAUKXSAAC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.83
Rot. Bonds7

About 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10937436) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10937436
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(26-2)18(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24)
InChIKeyNEBFMAAUKXSAAC-UHFFFAOYSA-N
XLogP2.83
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Trimethoprim
CID 5578
Diaveridine
CID 21453
Iclaprim
CID 213043
Tetroxoprim
CID 65450
Ormetoprim
CID 23418
2,4-Diamino-5-piperonylpyrimidine
CID 26341
5-{[(2R)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine
CID 10247560
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
Trimethoprim lactate
CID 3084396
GW-2580
CID 11617559
4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxyphenol
CID 10423570
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 10937436) is 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCc1ccccc1.
What is the InChIKey of 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NEBFMAAUKXSAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-25-16-9-14(8-15-11-23-20(22)24-19(15)21)10-17(26-2)18(16)27-12-13-6-4-3-5-7-13/h3-7,9-11H,8,12H2,1-2H3,(H4,21,22,23,24).
What are the key properties of 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 366.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10937436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).