N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine

C13H16F3N5 — CID 83185167

IUPACN-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-n2cc(C(F)(F)F)cn2)ncc1CNC(C)C
InChIInChI=1S/C13H16F3N5/c1-8(2)17-4-10-5-18-12(20-9(10)3)21-7-11(6-19-21)13(14,15)16/h5-8,17H,4H2,1-3H3
InChIKeyWGFFJQPCKSSSBU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.49
Rot. Bonds4

About N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83185167) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83185167
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-n2cc(C(F)(F)F)cn2)ncc1CNC(C)C
InChIInChI=1S/C13H16F3N5/c1-8(2)17-4-10-5-18-12(20-9(10)3)21-7-11(6-19-21)13(14,15)16/h5-8,17H,4H2,1-3H3
InChIKeyWGFFJQPCKSSSBU-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dnl-201
CID 69093374
2-Methyl-2-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69092949
3-[3-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67814206
3-[5-Methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 67818467
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
2,2-Dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281523
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281678
2-N-(1-ethyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281708
2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 117817536

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine (CID 83185167) is N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-n2cc(C(F)(F)F)cn2)ncc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is WGFFJQPCKSSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-8(2)17-4-10-5-18-12(20-9(10)3)21-7-11(6-19-21)13(14,15)16/h5-8,17H,4H2,1-3H3.
What are the key properties of N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83185167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).