2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H19F3N4O — CID 133460079

IUPAC2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOC1(CNc2nc(N(C)C)cc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C13H19F3N4O/c1-20(2)10-7-9(13(14,15)16)18-11(19-10)17-8-12(21-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyJGLPZUFIROUKOD-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.54
Rot. Bonds5

About 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 133460079) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID133460079
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOC1(CNc2nc(N(C)C)cc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C13H19F3N4O/c1-20(2)10-7-9(13(14,15)16)18-11(19-10)17-8-12(21-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,17,18,19)
InChIKeyJGLPZUFIROUKOD-UHFFFAOYSA-N
XLogP2.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol
CID 133376075
1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133358015
4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
(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
N-[(1-methoxycyclobutyl)methyl]-4,5-dimethylpyrimidin-2-amine
CID 133460018
4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133289533
3-[2-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethylsulfanyl]propan-1-ol
CID 111104935
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
N-[(1-methoxycyclobutyl)methyl]-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106832599
N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104705614
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 133460079) is 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is COC1(CNc2nc(N(C)C)cc(C(F)(F)F)n2)CCC1.
What is the InChIKey of 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is JGLPZUFIROUKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-20(2)10-7-9(13(14,15)16)18-11(19-10)17-8-12(21-3)5-4-6-12/h7H,4-6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 304.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133460079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).