4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C19H26F3N7O — CID 140943422

IUPAC4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cnn(C3CC(N4CCOCC4)C3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C19H26F3N7O/c1-3-23-17-15(19(20,21)22)10-24-18(27-17)26-16-11-25-29(12(16)2)14-8-13(9-14)28-4-6-30-7-5-28/h10-11,13-14H,3-9H2,1-2H3,(H2,23,24,26,27)
InChIKeyXZHYEZXADKBGIO-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.21
Rot. Bonds6

About 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 140943422) has the molecular formula C19H26F3N7O and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID140943422
Molecular FormulaC19H26F3N7O
Molecular Weight425.46 g/mol
Exact Mass425.22
IUPAC Name4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cnn(C3CC(N4CCOCC4)C3)c2C)ncc1C(F)(F)F
InChIInChI=1S/C19H26F3N7O/c1-3-23-17-15(19(20,21)22)10-24-18(27-17)26-16-11-25-29(12(16)2)14-8-13(9-14)28-4-6-30-7-5-28/h10-11,13-14H,3-9H2,1-2H3,(H2,23,24,26,27)
InChIKeyXZHYEZXADKBGIO-UHFFFAOYSA-N
XLogP3.21
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-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

Dnl-201
CID 69093374
Rimtuzalcap
CID 132207249
Gne-9605
CID 76328936
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
2-N-(6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazin-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201489
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
2-Methyl-1-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol
CID 67817055
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 69081779
2-N-[1-(2-methoxyethyl)-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69081998
2-N-[1-(2-methoxyethyl)-3-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69085771

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 140943422) is 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2cnn(C3CC(N4CCOCC4)C3)c2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XZHYEZXADKBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N7O/c1-3-23-17-15(19(20,21)22)10-24-18(27-17)26-16-11-25-29(12(16)2)14-8-13(9-14)28-4-6-30-7-5-28/h10-11,13-14H,3-9H2,1-2H3,(H2,23,24,26,27).
What are the key properties of 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 425.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[5-methyl-1-(3-morpholin-4-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 140943422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).