2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine

C17H18FN7 — CID 159433729

IUPAC2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(CNc2ncnc(Nc3cc(C4CC4)[nH]n3)n2)c(F)c1
InChIInChI=1S/C17H18FN7/c1-10-2-3-12(13(18)6-10)8-19-16-20-9-21-17(23-16)22-15-7-14(24-25-15)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H3,19,20,21,22,23,24,25)
InChIKeyIXWIUNZZEIYRHW-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.28
Rot. Bonds6

About 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine

2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 159433729) has the molecular formula C17H18FN7 and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID159433729
Molecular FormulaC17H18FN7
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(CNc2ncnc(Nc3cc(C4CC4)[nH]n3)n2)c(F)c1
InChIInChI=1S/C17H18FN7/c1-10-2-3-12(13(18)6-10)8-19-16-20-9-21-17(23-16)22-15-7-14(24-25-15)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H3,19,20,21,22,23,24,25)
InChIKeyIXWIUNZZEIYRHW-UHFFFAOYSA-N
XLogP3.28
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 155196399
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(3-methyl-1H-indol-4-yl)methyl]pyrimidine-2,4-diamine
CID 86694747
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
CID 123994546
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 70691734
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 59757986
2-[[6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]ethanol
CID 69234321
2-N-[[3-(2-bromophenyl)-1,2-oxazol-5-yl]methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methylpyrimidine-2,4-diamine
CID 59758180
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[(4-fluorophenyl)methyl]-5-nitropyridine-2,6-diamine
CID 90711232
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11588399
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(3H-imidazo[4,5-c]pyridin-6-ylmethyl)pyrimidine-2,4-diamine
CID 123790838

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 159433729) is 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(CNc2ncnc(Nc3cc(C4CC4)[nH]n3)n2)c(F)c1.
What is the InChIKey of 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IXWIUNZZEIYRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7/c1-10-2-3-12(13(18)6-10)8-19-16-20-9-21-17(23-16)22-15-7-14(24-25-15)11-4-5-11/h2-3,6-7,9,11H,4-5,8H2,1H3,(H3,19,20,21,22,23,24,25).
What are the key properties of 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 339.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(2-fluoro-4-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159433729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).