1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol

C8H11ClFN3O — CID 79075584

IUPAC1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C8H11ClFN3O/c1-8(2,14)4-12-6-5(10)3-11-7(9)13-6/h3,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyFNVZJXZTKQKXSN-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.45
Rot. Bonds3

About 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 79075584) has the molecular formula C8H11ClFN3O and a molecular weight of 219.65 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID79075584
Molecular FormulaC8H11ClFN3O
Molecular Weight219.65 g/mol
Exact Mass219.06
IUPAC Name1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C8H11ClFN3O/c1-8(2,14)4-12-6-5(10)3-11-7(9)13-6/h3,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyFNVZJXZTKQKXSN-UHFFFAOYSA-N
XLogP1.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 79075584) is 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(Cl)ncc1F.
What is the InChIKey of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is FNVZJXZTKQKXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFN3O/c1-8(2,14)4-12-6-5(10)3-11-7(9)13-6/h3,14H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 219.65 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 79075584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).