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

C19H18F2N4O2 — CID 44532667

IUPAC5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O2/c1-26-17-8-11(6-13-9-24-19(23)25-18(13)22)3-5-16(17)27-10-12-2-4-14(20)15(21)7-12/h2-5,7-9H,6,10H2,1H3,(H4,22,23,24,25)
InChIKeyRBVUTASAYUMOPH-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.10
Rot. Bonds6

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

5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 44532667) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine
PubChem CID44532667
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C19H18F2N4O2/c1-26-17-8-11(6-13-9-24-19(23)25-18(13)22)3-5-16(17)27-10-12-2-4-14(20)15(21)7-12/h2-5,7-9H,6,10H2,1H3,(H4,22,23,24,25)
InChIKeyRBVUTASAYUMOPH-UHFFFAOYSA-N
XLogP3.10
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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
2,4-Pyrimidinediamine, 5-((4-ethoxy-3-methoxyphenyl)methyl)-
CID 463109

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine (CID 44532667) is 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is RBVUTASAYUMOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-26-17-8-11(6-13-9-24-19(23)25-18(13)22)3-5-16(17)27-10-12-2-4-14(20)15(21)7-12/h2-5,7-9H,6,10H2,1H3,(H4,22,23,24,25).
What are the key properties of 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine?
5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 372.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44532667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).