4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

C12H13F3N4O — CID 114564446

IUPAC4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(Cc1ccco1)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H13F3N4O/c1-7(5-8-3-2-4-20-8)17-10-6-9(12(13,14)15)18-11(16)19-10/h2-4,6-7H,5H2,1H3,(H3,16,17,18,19)
InChIKeyQQSSKSMAYHRHMV-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.71
Rot. Bonds4

About 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564446) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564446
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCC(Cc1ccco1)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C12H13F3N4O/c1-7(5-8-3-2-4-20-8)17-10-6-9(12(13,14)15)18-11(16)19-10/h2-4,6-7H,5H2,1H3,(H3,16,17,18,19)
InChIKeyQQSSKSMAYHRHMV-UHFFFAOYSA-N
XLogP2.71
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[1-(furan-2-yl)propan-2-yl]-6-methoxypyrimidine-2,4-diamine
CID 114053032
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330241
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
N-[1-(furan-2-yl)propan-2-yl]-6-hydrazinylpyrazin-2-amine
CID 80896852
5-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 66278120
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-5-(trifluoromethyl)aniline
CID 116698821
(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 114986067
2-N-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyrimidine-2,4-diamine
CID 80803462
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
4-amino-3-[1-(furan-2-yl)propan-2-ylamino]benzenesulfonamide
CID 82907696

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564446) is 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is CC(Cc1ccco1)Nc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QQSSKSMAYHRHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-7(5-8-3-2-4-20-8)17-10-6-9(12(13,14)15)18-11(16)19-10/h2-4,6-7H,5H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).