N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine

C10H14F3N3 — CID 22648743

IUPACN,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
SMILESCNC(c1cncnc1C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F3N3/c1-6(2)8(14-3)7-4-15-5-16-9(7)10(11,12)13/h4-6,8,14H,1-3H3
InChIKeyCNNAWVUORKQEAB-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.41
Rot. Bonds3

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

N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine (PubChem CID 22648743) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
PubChem CID22648743
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
SMILESCNC(c1cncnc1C(F)(F)F)C(C)C
InChIInChI=1S/C10H14F3N3/c1-6(2)8(14-3)7-4-15-5-16-9(7)10(11,12)13/h4-6,8,14H,1-3H3
InChIKeyCNNAWVUORKQEAB-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-chloro-2-methylpropyl)-4-(trifluoromethyl)pyrimidine
CID 22648742
(4-methoxypyrimidin-5-yl)-[4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 19702800
5-fluoro-4-(trifluoromethyl)pyrimidine
CID 91431154
N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine
CID 139965918
N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine
CID 139965971
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 89012683
5-(chloromethyl)-4-(trifluoromethyl)pyrimidine
CID 126974133
4-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 118053651
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
4-chloro-5-(3,3-dimethylbutan-2-yl)pyrimidine
CID 176739063
N-methyl-2-methylsulfonyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102710024

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine (CID 22648743) is N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine is CNC(c1cncnc1C(F)(F)F)C(C)C.
What is the InChIKey of N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is CNNAWVUORKQEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)8(14-3)7-4-15-5-16-9(7)10(11,12)13/h4-6,8,14H,1-3H3.
What are the key properties of N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine?
N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[4-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 22648743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).