(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C10H15F3N4O — CID 114986067

IUPAC(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H15F3N4O/c1-5(2)6(4-18)15-8-3-7(10(11,12)13)16-9(14)17-8/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17)/t6-/m1/s1
InChIKeyJMXGTEBKCOURJW-ZCFIWIBFSA-N
MW264.25 g/mol
LogP1.51
Rot. Bonds4

About (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 114986067) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID114986067
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C10H15F3N4O/c1-5(2)6(4-18)15-8-3-7(10(11,12)13)16-9(14)17-8/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17)/t6-/m1/s1
InChIKeyJMXGTEBKCOURJW-ZCFIWIBFSA-N
XLogP1.51
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358269
4-N-(5-methylhexan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565132
4-N-(1-methoxypropan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563868
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-tert-butylpropanamide
CID 114565726
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-ethylbutan-1-ol
CID 114564895
2-methyl-3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565854
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564446
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 114986067) is (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)Nc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is JMXGTEBKCOURJW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-5(2)6(4-18)15-8-3-7(10(11,12)13)16-9(14)17-8/h3,5-6,18H,4H2,1-2H3,(H3,14,15,16,17)/t6-/m1/s1.
What are the key properties of (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 264.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114986067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).