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

C8H10ClF2N3O — CID 106178831

IUPAC3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1c(Cl)ncnc1NCC(F)(F)CO
InChIInChI=1S/C8H10ClF2N3O/c1-5-6(9)13-4-14-7(5)12-2-8(10,11)3-15/h4,15H,2-3H2,1H3,(H,12,13,14)
InChIKeyAVWNOMNYUJXACU-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.48
Rot. Bonds4

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

3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106178831) has the molecular formula C8H10ClF2N3O and a molecular weight of 237.64 g/mol. Its IUPAC name is 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106178831
Molecular FormulaC8H10ClF2N3O
Molecular Weight237.64 g/mol
Exact Mass237.05
IUPAC Name3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1c(Cl)ncnc1NCC(F)(F)CO
InChIInChI=1S/C8H10ClF2N3O/c1-5-6(9)13-4-14-7(5)12-2-8(10,11)3-15/h4,15H,2-3H2,1H3,(H,12,13,14)
InChIKeyAVWNOMNYUJXACU-UHFFFAOYSA-N
XLogP1.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.48
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-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol (CID 106178831) is 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is Cc1c(Cl)ncnc1NCC(F)(F)CO.
What is the InChIKey of 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is AVWNOMNYUJXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3O/c1-5-6(9)13-4-14-7(5)12-2-8(10,11)3-15/h4,15H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol?
3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 237.64 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106178831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).