4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine

C19H19F3N6O — CID 59757942

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N6O/c1-10-5-16(25-17-9-15(27-28-17)11-3-4-11)26-18(23-10)24-13-6-12(19(20,21)22)7-14(8-13)29-2/h5-9,11H,3-4H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyRVBJHZJTJMZFTQ-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.90
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 59757942) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
PubChem CID59757942
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N6O/c1-10-5-16(25-17-9-15(27-28-17)11-3-4-11)26-18(23-10)24-13-6-12(19(20,21)22)7-14(8-13)29-2/h5-9,11H,3-4H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyRVBJHZJTJMZFTQ-UHFFFAOYSA-N
XLogP4.90
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 59757802
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methyl-2-N-(4-piperidin-1-ium-4-ylphenyl)pyrimidine-2,4-diamine
CID 143702251
N-[3,5-bis(trifluoromethyl)phenyl]-5-cyclobutyl-1H-pyrazol-3-amine
CID 10154812
2-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]acetonitrile
CID 45111333
2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenoxy]-N-[2-(diethylamino)ethyl]acetamide
CID 59758135
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)urea
CID 118888864
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-cyclopentyl-1H-pyrazol-3-yl)-2-N-[4-[[3-(trifluoromethyl)anilino]methoxymethyl]phenyl]pyrimidine-2,4-diamine
CID 162616929
4-N-(3,5-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80759200
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea
CID 163441820
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine (CID 59757942) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine is COc1cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is RVBJHZJTJMZFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-10-5-16(25-17-9-15(27-28-17)11-3-4-11)26-18(23-10)24-13-6-12(19(20,21)22)7-14(8-13)29-2/h5-9,11H,3-4H2,1-2H3,(H3,23,24,25,26,27,28).
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 404.40 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 59757942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).