3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

C10H15ClFN3O — CID 106192316

IUPAC3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3O/c1-9(2,10(3,4)16)15-7-6(12)5-13-8(11)14-7/h5,16H,1-4H3,(H,13,14,15)
InChIKeyNWWHAOUYWJTBSN-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.23
Rot. Bonds3

About 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106192316) has the molecular formula C10H15ClFN3O and a molecular weight of 247.70 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106192316
Molecular FormulaC10H15ClFN3O
Molecular Weight247.70 g/mol
Exact Mass247.09
IUPAC Name3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1nc(Cl)ncc1F
InChIInChI=1S/C10H15ClFN3O/c1-9(2,10(3,4)16)15-7-6(12)5-13-8(11)14-7/h5,16H,1-4H3,(H,13,14,15)
InChIKeyNWWHAOUYWJTBSN-UHFFFAOYSA-N
XLogP2.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (CID 106192316) is 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1nc(Cl)ncc1F.
What is the InChIKey of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is NWWHAOUYWJTBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3O/c1-9(2,10(3,4)16)15-7-6(12)5-13-8(11)14-7/h5,16H,1-4H3,(H,13,14,15).
What are the key properties of 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 247.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106192316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).