N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C9H13F3N4 — CID 83895962

IUPACN,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNCc1cnc(C(F)(F)F)nc1N(C)C
InChIInChI=1S/C9H13F3N4/c1-13-4-6-5-14-8(9(10,11)12)15-7(6)16(2)3/h5,13H,4H2,1-3H3
InChIKeyNWMHLVSIYJCKIP-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.28
Rot. Bonds3

About N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 83895962) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID83895962
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC NameN,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNCc1cnc(C(F)(F)F)nc1N(C)C
InChIInChI=1S/C9H13F3N4/c1-13-4-6-5-14-8(9(10,11)12)15-7(6)16(2)3/h5,13H,4H2,1-3H3
InChIKeyNWMHLVSIYJCKIP-UHFFFAOYSA-N
XLogP1.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(difluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-N-methylmethanamine
CID 162613421
N,2-dimethyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyrimidin-4-amine
CID 114216480
N-methyl-1-[2-(trichloromethyl)pyrimidin-5-yl]methanamine
CID 165466670
N-methyl-3-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282278
N-tert-butyl-2-methyl-5-(methylaminomethyl)-N-prop-2-enylpyrimidin-4-amine
CID 114216478
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 56760730
1-[4-(difluoromethyl)-2-(2,2-dimethylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114206931
N-methyl-1-[4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]methanamine
CID 28875410
N-butan-2-yl-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81249618
N-(2,2-dimethylpropyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81246388
N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 83185622

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 83895962) is N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine is CNCc1cnc(C(F)(F)F)nc1N(C)C.
What is the InChIKey of N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is NWMHLVSIYJCKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-13-4-6-5-14-8(9(10,11)12)15-7(6)16(2)3/h5,13H,4H2,1-3H3.
What are the key properties of N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 234.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 83895962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).