4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C14H19F3N6 — CID 133378151

IUPAC4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(CC(C)Nc2nc(N(C)C)cc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C14H19F3N6/c1-8(5-10-6-9(2)21-22-10)18-13-19-11(14(15,16)17)7-12(20-13)23(3)4/h6-8H,5H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeySHWBDBCNGMVGEH-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.64
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133378151) has the molecular formula C14H19F3N6 and a molecular weight of 328.34 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133378151
Molecular FormulaC14H19F3N6
Molecular Weight328.34 g/mol
Exact Mass328.16
IUPAC Name4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCc1cc(CC(C)Nc2nc(N(C)C)cc(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C14H19F3N6/c1-8(5-10-6-9(2)21-22-10)18-13-19-11(14(15,16)17)7-12(20-13)23(3)4/h6-8H,5H2,1-4H3,(H,21,22)(H,18,19,20)
InChIKeySHWBDBCNGMVGEH-UHFFFAOYSA-N
XLogP2.64
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N,5-trimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidine-2,4-diamine
CID 50951650
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
5-bromo-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-2-amine
CID 133378217
5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133378129
[2-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]pyrimidin-4-yl]methanol
CID 138050417
(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771269
(2R)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771270
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 99583562
6-chloro-2-cyclopropyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrimidin-4-amine
CID 133421183
3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine
CID 99824923
4-N,4-N-dimethyl-2-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133314334
4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133289533

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133378151) is 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is Cc1cc(CC(C)Nc2nc(N(C)C)cc(C(F)(F)F)n2)n[nH]1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is SHWBDBCNGMVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6/c1-8(5-10-6-9(2)21-22-10)18-13-19-11(14(15,16)17)7-12(20-13)23(3)4/h6-8H,5H2,1-4H3,(H,21,22)(H,18,19,20).
What are the key properties of 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 328.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133378151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).