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

C9H13ClFN3O — CID 130570523

IUPAC4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1nc(Cl)ncc1F
InChIInChI=1S/C9H13ClFN3O/c1-9(2,15)3-4-12-7-6(11)5-13-8(10)14-7/h5,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyXGZFNUMAKJAFRT-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.84
Rot. Bonds4

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

4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 130570523) has the molecular formula C9H13ClFN3O and a molecular weight of 233.67 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
PubChem CID130570523
Molecular FormulaC9H13ClFN3O
Molecular Weight233.67 g/mol
Exact Mass233.07
IUPAC Name4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1nc(Cl)ncc1F
InChIInChI=1S/C9H13ClFN3O/c1-9(2,15)3-4-12-7-6(11)5-13-8(10)14-7/h5,15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyXGZFNUMAKJAFRT-UHFFFAOYSA-N
XLogP1.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-5-fluoropyrimidin-4-amine
CID 1712972
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]ethanol
CID 1928143
2-chloro-5-fluoro-N-(propan-2-yl)pyrimidin-4-amine
CID 58336990
4-(t-Butylamino)-2-chloro-5-fluoropyrimidine
CID 22121226
N-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-2-chloro-5-fluoro-4-pyrimidinamine
CID 57845365
3-(2-Chloro-5-fluoro-pyrimidin-4-ylamino)-propan-1-ol
CID 57845437
3-[(2-Chloro-5-fluoro-4-pyrimidinyl)(methyl)amino]-1-propanol
CID 57845518
(R)-3-(2-chloro-5-trifluoromethyl-pyrimidin-4-ylamino)-2-methyl-butan-2-ol
CID 58467957
2-chloro-N-(cyclopropylmethyl)-5-fluoropyrimidin-4-amine
CID 58877311
(2R,3R)-3-(2-Chloro-5-trifluoromethylpyrimidin-4-ylamino)butan-2-ol
CID 59683169
N-ethyl-5-fluoropyrimidin-4-amine
CID 71635359
3-[[2-Chloro-5-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 72357339

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol (CID 130570523) is 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol is CC(C)(O)CCNc1nc(Cl)ncc1F.
What is the InChIKey of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is XGZFNUMAKJAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFN3O/c1-9(2,15)3-4-12-7-6(11)5-13-8(10)14-7/h5,15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol?
4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 233.67 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 130570523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).