5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine

C14H17F3N6O — CID 130474301

IUPAC5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine
SMILESCOc1nc(C(C)C)c(Nc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-6(2)10-8(21-9-5-20-13(19)23-11(9)18)4-7(14(15,16)17)12(22-10)24-3/h4-6,21H,1-3H3,(H4,18,19,20,23)
InChIKeyXVPFNQOOTLPZOB-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.93
Rot. Bonds4

About 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine

5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine (PubChem CID 130474301) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine
PubChem CID130474301
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine
SMILESCOc1nc(C(C)C)c(Nc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C14H17F3N6O/c1-6(2)10-8(21-9-5-20-13(19)23-11(9)18)4-7(14(15,16)17)12(22-10)24-3/h4-6,21H,1-3H3,(H4,18,19,20,23)
InChIKeyXVPFNQOOTLPZOB-UHFFFAOYSA-N
XLogP2.93
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine (CID 130474301) is 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine is COc1nc(C(C)C)c(Nc2cnc(N)nc2N)cc1C(F)(F)F.
What is the InChIKey of 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine?
The InChIKey is XVPFNQOOTLPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-6(2)10-8(21-9-5-20-13(19)23-11(9)18)4-7(14(15,16)17)12(22-10)24-3/h4-6,21H,1-3H3,(H4,18,19,20,23).
What are the key properties of 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine?
5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine has a molecular weight of 342.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[6-methoxy-2-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 130474301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).