3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

C10H13ClF3N3O — CID 103724808

IUPAC3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc(Cl)c(C)c(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-3-7-16-8(11)5(2)9(17-7)15-4-6(18)10(12,13)14/h6,18H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyXTPMEWAIYXRFRT-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.34
Rot. Bonds4

About 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103724808) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID103724808
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nc(Cl)c(C)c(NCC(O)C(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3O/c1-3-7-16-8(11)5(2)9(17-7)15-4-6(18)10(12,13)14/h6,18H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyXTPMEWAIYXRFRT-UHFFFAOYSA-N
XLogP2.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 103724808) is 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is CCc1nc(Cl)c(C)c(NCC(O)C(F)(F)F)n1.
What is the InChIKey of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is XTPMEWAIYXRFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-3-7-16-8(11)5(2)9(17-7)15-4-6(18)10(12,13)14/h6,18H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 283.68 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103724808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).