4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine

C16H14F3N5O — CID 137395043

IUPAC4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(C(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1
InChIInChI=1S/C16H14F3N5O/c1-10-6-11(16(17,18)19)2-3-13(10)24(7-12-8-25-9-22-12)14-4-5-21-15(20)23-14/h2-6,8-9H,7H2,1H3,(H2,20,21,23)
InChIKeyKBHOWDLWQUKREN-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.71
Rot. Bonds4

About 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine

4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 137395043) has the molecular formula C16H14F3N5O and a molecular weight of 349.32 g/mol. Its IUPAC name is 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID137395043
Molecular FormulaC16H14F3N5O
Molecular Weight349.32 g/mol
Exact Mass349.12
IUPAC Name4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(C(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1
InChIInChI=1S/C16H14F3N5O/c1-10-6-11(16(17,18)19)2-3-13(10)24(7-12-8-25-9-22-12)14-4-5-21-15(20)23-14/h2-6,8-9H,7H2,1H3,(H2,20,21,23)
InChIKeyKBHOWDLWQUKREN-UHFFFAOYSA-N
XLogP3.71
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine (CID 137395043) is 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(C(F)(F)F)ccc1N(Cc1cocn1)c1ccnc(N)n1.
What is the InChIKey of 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is KBHOWDLWQUKREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O/c1-10-6-11(16(17,18)19)2-3-13(10)24(7-12-8-25-9-22-12)14-4-5-21-15(20)23-14/h2-6,8-9H,7H2,1H3,(H2,20,21,23).
What are the key properties of 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 349.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-methyl-4-(trifluoromethyl)phenyl]-4-N-(1,3-oxazol-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 137395043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).