4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine

C20H16F2N6 — CID 164957924

IUPAC4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(-c3cn(Cc4ccc(F)cc4F)nn3)nc(N)n2)c1
InChIInChI=1S/C20H16F2N6/c1-12-3-2-4-13(7-12)17-9-18(25-20(23)24-17)19-11-28(27-26-19)10-14-5-6-15(21)8-16(14)22/h2-9,11H,10H2,1H3,(H2,23,24,25)
InChIKeyUBYOYBLNPMVRDV-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.62
Rot. Bonds4

About 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine

4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 164957924) has the molecular formula C20H16F2N6 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine
PubChem CID164957924
Molecular FormulaC20H16F2N6
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(-c2cc(-c3cn(Cc4ccc(F)cc4F)nn3)nc(N)n2)c1
InChIInChI=1S/C20H16F2N6/c1-12-3-2-4-13(7-12)17-9-18(25-20(23)24-17)19-11-28(27-26-19)10-14-5-6-15(21)8-16(14)22/h2-9,11H,10H2,1H3,(H2,23,24,25)
InChIKeyUBYOYBLNPMVRDV-UHFFFAOYSA-N
XLogP3.62
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine
CID 163549701
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(3-methylphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 170102368
3-[2-amino-6-[1-[(2-aminophenyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135256363
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 165100654
4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 135272722
5-[2-amino-6-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
CID 135272702
(2R)-4-[4-(3-methylphenyl)triazol-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine;hydrochloride
CID 71732746
3-[2-amino-6-[1-[[6-(3-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135272752
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-propan-2-ylphenyl)pyrimidin-2-amine
CID 135241997
4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 91926916
3-[2-amino-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135242275

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine (CID 164957924) is 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(-c2cc(-c3cn(Cc4ccc(F)cc4F)nn3)nc(N)n2)c1.
What is the InChIKey of 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is UBYOYBLNPMVRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6/c1-12-3-2-4-13(7-12)17-9-18(25-20(23)24-17)19-11-28(27-26-19)10-14-5-6-15(21)8-16(14)22/h2-9,11H,10H2,1H3,(H2,23,24,25).
What are the key properties of 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine?
4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 378.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 164957924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).