4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine

C19H17N7 — CID 163549701

IUPAC4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine
SMILESCc1cccc(-c2cc(-c3cn(Cc4cccnc4)nn3)nc(N)n2)c1
InChIInChI=1S/C19H17N7/c1-13-4-2-6-15(8-13)16-9-17(23-19(20)22-16)18-12-26(25-24-18)11-14-5-3-7-21-10-14/h2-10,12H,11H2,1H3,(H2,20,22,23)
InChIKeyFIAPWHBWKIYACS-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.74
Rot. Bonds4

About 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine

4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine (PubChem CID 163549701) has the molecular formula C19H17N7 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine
PubChem CID163549701
Molecular FormulaC19H17N7
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine
SMILESCc1cccc(-c2cc(-c3cn(Cc4cccnc4)nn3)nc(N)n2)c1
InChIInChI=1S/C19H17N7/c1-13-4-2-6-15(8-13)16-9-17(23-19(20)22-16)18-12-26(25-24-18)11-14-5-3-7-21-10-14/h2-10,12H,11H2,1H3,(H2,20,22,23)
InChIKeyFIAPWHBWKIYACS-UHFFFAOYSA-N
XLogP2.74
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[(2,4-difluorophenyl)methyl]triazol-4-yl]-6-(3-methylphenyl)pyrimidin-2-amine
CID 164957924
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 165100654
3-[[4-(3,5-dimethylthiophen-2-yl)triazol-1-yl]methyl]pyridine
CID 58458853
methyl 2-[3-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]phenoxy]acetate
CID 135256169
5-[2-amino-6-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]pyrimidin-4-yl]-2-methylbenzonitrile
CID 135272702
4-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-6-(3-propan-2-ylphenyl)pyrimidin-2-amine
CID 135241997
4-methyl-5-[1-(pyridin-3-ylmethyl)triazol-4-yl]-1,3-thiazole
CID 167918882
4-[1-[(6-ethyl-2-pyridinyl)methyl]triazol-4-yl]-6-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 135272722
3-[2-amino-6-[1-[(2-aminophenyl)methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135256363
3-[2-amino-6-[1-[[6-(3-methylbutan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135272752
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-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine (CID 163549701) is 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine is Cc1cccc(-c2cc(-c3cn(Cc4cccnc4)nn3)nc(N)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine?
The InChIKey is FIAPWHBWKIYACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7/c1-13-4-2-6-15(8-13)16-9-17(23-19(20)22-16)18-12-26(25-24-18)11-14-5-3-7-21-10-14/h2-10,12H,11H2,1H3,(H2,20,22,23).
What are the key properties of 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine?
4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-6-[1-(pyridin-3-ylmethyl)triazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 163549701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).