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

C10H15F2N3O — CID 103731287

IUPAC1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCC(C)c1cc(NCC(O)C(F)F)ncn1
InChIInChI=1S/C10H15F2N3O/c1-6(2)7-3-9(15-5-14-7)13-4-8(16)10(11)12/h3,5-6,8,10,16H,4H2,1-2H3,(H,13,14,15)
InChIKeyVCASIHQBOREIMM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.64
Rot. Bonds5

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

1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 103731287) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID103731287
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol
SMILESCC(C)c1cc(NCC(O)C(F)F)ncn1
InChIInChI=1S/C10H15F2N3O/c1-6(2)7-3-9(15-5-14-7)13-4-8(16)10(11)12/h3,5-6,8,10,16H,4H2,1-2H3,(H,13,14,15)
InChIKeyVCASIHQBOREIMM-UHFFFAOYSA-N
XLogP1.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol (CID 103731287) is 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol is CC(C)c1cc(NCC(O)C(F)F)ncn1.
What is the InChIKey of 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is VCASIHQBOREIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-6(2)7-3-9(15-5-14-7)13-4-8(16)10(11)12/h3,5-6,8,10,16H,4H2,1-2H3,(H,13,14,15).
What are the key properties of 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol?
1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 231.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(6-propan-2-ylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103731287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).