6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one

C10H14F3N3O2 — CID 143979405

IUPAC6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESC[C@@H](Nc1[nH]c(=O)ncc1C(F)(F)F)C(C)(C)O
InChIInChI=1S/C10H14F3N3O2/c1-5(9(2,3)18)15-7-6(10(11,12)13)4-14-8(17)16-7/h4-5,18H,1-3H3,(H2,14,15,16,17)/t5-/m1/s1
InChIKeySFRXAZBRKMXGMJ-RXMQYKEDSA-N
MW265.23 g/mol
LogP1.36
Rot. Bonds3

About 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one

6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 143979405) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID143979405
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESC[C@@H](Nc1[nH]c(=O)ncc1C(F)(F)F)C(C)(C)O
InChIInChI=1S/C10H14F3N3O2/c1-5(9(2,3)18)15-7-6(10(11,12)13)4-14-8(17)16-7/h4-5,18H,1-3H3,(H2,14,15,16,17)/t5-/m1/s1
InChIKeySFRXAZBRKMXGMJ-RXMQYKEDSA-N
XLogP1.36
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 145025587
2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
CID 82811107
3-[(5-aminopyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 130865428
3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462
5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one
CID 59223458
2-methyl-3-(2,3,5,6-tetrafluoroanilino)butan-2-ol
CID 107643968
6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 65337980
2-methyl-3-[(6-methylsulfonyl-3-pyridinyl)amino]butan-2-ol
CID 65338019
5-fluoro-6-(methoxyamino)-1H-pyrimidin-2-one
CID 13065766
4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 58646403
3-[(3-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130892998
7-(1-hydroxyethyl)-1H-pyrido[2,3-d]pyrimidin-2-one
CID 140989785

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one (CID 143979405) is 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one is C[C@@H](Nc1[nH]c(=O)ncc1C(F)(F)F)C(C)(C)O.
What is the InChIKey of 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is SFRXAZBRKMXGMJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-5(9(2,3)18)15-7-6(10(11,12)13)4-14-8(17)16-7/h4-5,18H,1-3H3,(H2,14,15,16,17)/t5-/m1/s1.
What are the key properties of 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one?
6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 265.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 143979405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).