4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C9H13F3N4O — CID 114563868

IUPAC4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C9H13F3N4O/c1-5(4-17-2)14-7-3-6(9(10,11)12)15-8(13)16-7/h3,5H,4H2,1-2H3,(H3,13,14,15,16)
InChIKeyXSTOKMNVKBPCPZ-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.52
Rot. Bonds4

About 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563868) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563868
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCOCC(C)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C9H13F3N4O/c1-5(4-17-2)14-7-3-6(9(10,11)12)15-8(13)16-7/h3,5H,4H2,1-2H3,(H3,13,14,15,16)
InChIKeyXSTOKMNVKBPCPZ-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-methylhexan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565132
(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
2,6-ditert-butyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 133367691
4-N-[(2S)-1-methoxypropan-2-yl]-2-methylpyrimidine-4,6-diamine
CID 129372111
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358269
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
CID 114565726
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
4-N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565117
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563868) is 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is COCC(C)Nc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XSTOKMNVKBPCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5(4-17-2)14-7-3-6(9(10,11)12)15-8(13)16-7/h3,5H,4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 250.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).