2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C19H26F3N9 — CID 135253691

IUPAC2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cc(C(C)(C)n3nccn3)nn2C(C)(C)C)ncc1C(F)(F)F
InChIInChI=1S/C19H26F3N9/c1-7-23-15-12(19(20,21)22)11-24-16(28-15)27-14-10-13(29-30(14)17(2,3)4)18(5,6)31-25-8-9-26-31/h8-11H,7H2,1-6H3,(H2,23,24,27,28)
InChIKeyBVRNSBPBMWZAPI-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.00
Rot. Bonds6

About 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 135253691) has the molecular formula C19H26F3N9 and a molecular weight of 437.47 g/mol. Its IUPAC name is 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID135253691
Molecular FormulaC19H26F3N9
Molecular Weight437.47 g/mol
Exact Mass437.23
IUPAC Name2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cc(C(C)(C)n3nccn3)nn2C(C)(C)C)ncc1C(F)(F)F
InChIInChI=1S/C19H26F3N9/c1-7-23-15-12(19(20,21)22)11-24-16(28-15)27-14-10-13(29-30(14)17(2,3)4)18(5,6)31-25-8-9-26-31/h8-11H,7H2,1-6H3,(H2,23,24,27,28)
InChIKeyBVRNSBPBMWZAPI-UHFFFAOYSA-N
XLogP4.00
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-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

N2-(3-(2-(2H-1,2,3-Triazol-2-yl)propan-2-yl)-1-cyclopropyl-1H-pyrazol-5-yl)-N4-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132232498
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
4-N-ethyl-2-N-[3-methyl-1-[2-(2-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092410
4-N-ethyl-2-N-[3-methyl-1-[2-(1-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191205
2-N-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201490
5-cyclopropyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900917
4-N-ethyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093259
US9932325, Example 15
CID 69281631
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)propyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190898
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 135253691) is 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2cc(C(C)(C)n3nccn3)nn2C(C)(C)C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is BVRNSBPBMWZAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N9/c1-7-23-15-12(19(20,21)22)11-24-16(28-15)27-14-10-13(29-30(14)17(2,3)4)18(5,6)31-25-8-9-26-31/h8-11H,7H2,1-6H3,(H2,23,24,27,28).
What are the key properties of 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 437.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-tert-butyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135253691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).