2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine

C14H20F4N6 — CID 150446409

IUPAC2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCNC1=C(C(F)(F)F)C=NC(N)(c2cn(C(C)(C)CF)nc2C)N1
InChIInChI=1S/C14H20F4N6/c1-8-10(6-24(23-8)12(2,3)7-15)14(19)21-5-9(13(16,17)18)11(20-4)22-14/h5-6,20,22H,7,19H2,1-4H3
InChIKeyLPMBUHGEZFDJBD-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.63
Rot. Bonds4

About 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine

2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (PubChem CID 150446409) has the molecular formula C14H20F4N6 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
PubChem CID150446409
Molecular FormulaC14H20F4N6
Molecular Weight348.35 g/mol
Exact Mass348.17
IUPAC Name2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine
SMILESCNC1=C(C(F)(F)F)C=NC(N)(c2cn(C(C)(C)CF)nc2C)N1
InChIInChI=1S/C14H20F4N6/c1-8-10(6-24(23-8)12(2,3)7-15)14(19)21-5-9(13(16,17)18)11(20-4)22-14/h5-6,20,22H,7,19H2,1-4H3
InChIKeyLPMBUHGEZFDJBD-UHFFFAOYSA-N
XLogP1.63
TPSA80.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The IUPAC name of 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine (CID 150446409) is 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine.
What is the SMILES notation for 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The canonical SMILES for 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is CNC1=C(C(F)(F)F)C=NC(N)(c2cn(C(C)(C)CF)nc2C)N1.
What is the InChIKey of 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
The InChIKey is LPMBUHGEZFDJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N6/c1-8-10(6-24(23-8)12(2,3)7-15)14(19)21-5-9(13(16,17)18)11(20-4)22-14/h5-6,20,22H,7,19H2,1-4H3.
What are the key properties of 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine?
2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine has a molecular weight of 348.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-fluoro-2-methylpropan-2-yl)-3-methylpyrazol-4-yl]-6-N-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,6-diamine is sourced from PubChem (CID 150446409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).