(3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

C10H13ClF3N3O — CID 58467957

IUPAC(3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESC[C@@H](Nc1nc(Cl)ncc1C(F)(F)F)C(C)(C)O
InChIInChI=1S/C10H13ClF3N3O/c1-5(9(2,3)18)16-7-6(10(12,13)14)4-15-8(11)17-7/h4-5,18H,1-3H3,(H,15,16,17)/t5-/m1/s1
InChIKeyUYHNEJWCEPMJTN-RXMQYKEDSA-N
MW283.68 g/mol
LogP2.72
Rot. Bonds3

About (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

(3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (PubChem CID 58467957) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
PubChem CID58467957
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name(3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESC[C@@H](Nc1nc(Cl)ncc1C(F)(F)F)C(C)(C)O
InChIInChI=1S/C10H13ClF3N3O/c1-5(9(2,3)18)16-7-6(10(12,13)14)4-15-8(11)17-7/h4-5,18H,1-3H3,(H,15,16,17)/t5-/m1/s1
InChIKeyUYHNEJWCEPMJTN-RXMQYKEDSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (CID 58467957) is (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is C[C@@H](Nc1nc(Cl)ncc1C(F)(F)F)C(C)(C)O.
What is the InChIKey of (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The InChIKey is UYHNEJWCEPMJTN-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-5(9(2,3)18)16-7-6(10(12,13)14)4-15-8(11)17-7/h4-5,18H,1-3H3,(H,15,16,17)/t5-/m1/s1.
What are the key properties of (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
(3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol has a molecular weight of 283.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 58467957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).