2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol

C9H14FN3O — CID 115750244

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ncc(F)cn1
InChIInChI=1S/C9H14FN3O/c1-3-9(2,6-14)13-8-11-4-7(10)5-12-8/h4-5,14H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyHARHPJISBFUWAN-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.19
Rot. Bonds4

About 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol

2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 115750244) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol
PubChem CID115750244
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ncc(F)cn1
InChIInChI=1S/C9H14FN3O/c1-3-9(2,6-14)13-8-11-4-7(10)5-12-8/h4-5,14H,3,6H2,1-2H3,(H,11,12,13)
InChIKeyHARHPJISBFUWAN-UHFFFAOYSA-N
XLogP1.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
CID 64551760
3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
2-methyl-2-(2,3,4,5,6-pentafluoroanilino)butan-1-ol
CID 64556841
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186
2-[(5-amino-1,3-thiazol-2-yl)amino]-2-methylbutan-1-ol
CID 102768566
2-[(5-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 64556637
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
CID 130680062
N-(1-chloro-3-methylpentan-3-yl)-5-methylpyrimidin-2-amine
CID 106167874
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 64558196
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]butan-1-ol
CID 127002281
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol (CID 115750244) is 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1ncc(F)cn1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is HARHPJISBFUWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-3-9(2,6-14)13-8-11-4-7(10)5-12-8/h4-5,14H,3,6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol?
2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 199.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 115750244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).