3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

C10H14ClF2N3O — CID 106178819

IUPAC3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCC(F)(F)CO
InChIInChI=1S/C10H14ClF2N3O/c1-6(2)7-8(11)15-5-16-9(7)14-3-10(12,13)4-17/h5-6,17H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyCLUDQUBZSAOOSZ-UHFFFAOYSA-N
MW265.69 g/mol
LogP2.29
Rot. Bonds5

About 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol

3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106178819) has the molecular formula C10H14ClF2N3O and a molecular weight of 265.69 g/mol. Its IUPAC name is 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106178819
Molecular FormulaC10H14ClF2N3O
Molecular Weight265.69 g/mol
Exact Mass265.08
IUPAC Name3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCC(C)c1c(Cl)ncnc1NCC(F)(F)CO
InChIInChI=1S/C10H14ClF2N3O/c1-6(2)7-8(11)15-5-16-9(7)14-3-10(12,13)4-17/h5-6,17H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyCLUDQUBZSAOOSZ-UHFFFAOYSA-N
XLogP2.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106178819) is 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is CC(C)c1c(Cl)ncnc1NCC(F)(F)CO.
What is the InChIKey of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is CLUDQUBZSAOOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2N3O/c1-6(2)7-8(11)15-5-16-9(7)14-3-10(12,13)4-17/h5-6,17H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 265.69 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106178819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).