(2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C10H15F3N4O — CID 141126403

IUPAC(2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-5(2)7(4-18)16-8-6(10(11,12)13)3-15-9(14)17-8/h3,5,7,18H,4H2,1-2H3,(H3,14,15,16,17)/t7-/m0/s1
InChIKeyGXDKOZSOQXOYGT-ZETCQYMHSA-N
MW264.25 g/mol
LogP1.51
Rot. Bonds4

About (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol

(2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 141126403) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID141126403
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name(2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@H](CO)Nc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-5(2)7(4-18)16-8-6(10(11,12)13)3-15-9(14)17-8/h3,5,7,18H,4H2,1-2H3,(H3,14,15,16,17)/t7-/m0/s1
InChIKeyGXDKOZSOQXOYGT-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 141126403) is (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CC(C)[C@H](CO)Nc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is GXDKOZSOQXOYGT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-5(2)7(4-18)16-8-6(10(11,12)13)3-15-9(14)17-8/h3,5,7,18H,4H2,1-2H3,(H3,14,15,16,17)/t7-/m0/s1.
What are the key properties of (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
(2R)-2-[[2-amino-5-(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 (2R)-2-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 141126403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).