2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H16F3N7 — CID 69092203

IUPAC2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C)c2N(C)C)ncc1C(F)(F)F
InChIInChI=1S/C12H16F3N7/c1-16-9-7(12(13,14)15)5-17-11(20-9)19-8-6-18-22(4)10(8)21(2)3/h5-6H,1-4H3,(H2,16,17,19,20)
InChIKeyWBVTVUDAJGWWNN-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.08
Rot. Bonds4

About 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69092203) has the molecular formula C12H16F3N7 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69092203
Molecular FormulaC12H16F3N7
Molecular Weight315.30 g/mol
Exact Mass315.14
IUPAC Name2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C)c2N(C)C)ncc1C(F)(F)F
InChIInChI=1S/C12H16F3N7/c1-16-9-7(12(13,14)15)5-17-11(20-9)19-8-6-18-22(4)10(8)21(2)3/h5-6H,1-4H3,(H2,16,17,19,20)
InChIKeyWBVTVUDAJGWWNN-UHFFFAOYSA-N
XLogP2.08
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69092203) is 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cnn(C)c2N(C)C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is WBVTVUDAJGWWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N7/c1-16-9-7(12(13,14)15)5-17-11(20-9)19-8-6-18-22(4)10(8)21(2)3/h5-6H,1-4H3,(H2,16,17,19,20).
What are the key properties of 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 315.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(dimethylamino)-1-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69092203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).