N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine

C13H18F3N3O — CID 97129440

IUPACN-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCC[C@H]1CCCO1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-19(8-2-4-10-5-3-9-20-10)11-6-7-17-12(18-11)13(14,15)16/h6-7,10H,2-5,8-9H2,1H3/t10-/m0/s1
InChIKeyHMIPLANZWAJIMD-JTQLQIEISA-N
MW289.30 g/mol
LogP2.89
Rot. Bonds5

About N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 97129440) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID97129440
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CCC[C@H]1CCCO1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O/c1-19(8-2-4-10-5-3-9-20-10)11-6-7-17-12(18-11)13(14,15)16/h6-7,10H,2-5,8-9H2,1H3/t10-/m0/s1
InChIKeyHMIPLANZWAJIMD-JTQLQIEISA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methoxycyclohexyl)-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 75422023
methyl 5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanimidate
CID 21279735
methyl N-cyano-5-[4-(2-[2,2,2-trifluoroethyl]guanidino)pyrimid-2-yl]valerimidate
CID 21279765
Methyl 5-[4-(2-[2,2,2-trifluoroethyl]guanidino)pyrimid-2-yl]valerimidate dihydrochloride
CID 21279819
4-(4-Methylpiperidin-1-yl)-2-[3-(trifluoromethoxy)cyclobutyl]pyrimidine
CID 158395900
2-(4-Ethoxy-3,3-difluoropiperidin-1-yl)pyrimidin-4-amine
CID 166547163
2-[3-(Trifluoromethoxy)cyclobutyl]pyrimidine
CID 173826495
N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72883100
N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 97129439
N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 126856166
2-[(4,4-difluorocyclohexyl)oxy]-N,N-dimethylpyrimidin-4-amine
CID 126954258
5-fluoro-N~2~,N~4~,N~4~-trimethyl-N~2~-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 132420010

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 97129440) is N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine is CN(CCC[C@H]1CCCO1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HMIPLANZWAJIMD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(8-2-4-10-5-3-9-20-10)11-6-7-17-12(18-11)13(14,15)16/h6-7,10H,2-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 97129440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).