2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol

C9H14ClN3O — CID 64550559

IUPAC2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3O/c1-3-9(2,5-14)13-8-4-7(10)11-6-12-8/h4,6,14H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyZXEYUESLQZAECE-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.70
Rot. Bonds4

About 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol

2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 64550559) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID64550559
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3O/c1-3-9(2,5-14)13-8-4-7(10)11-6-12-8/h4,6,14H,3,5H2,1-2H3,(H,11,12,13)
InChIKeyZXEYUESLQZAECE-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866444
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 64558196
2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol
CID 130913826
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 79880069
3-[(6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66171465
2-[(5-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 64556637
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 64550149
3-[(6-fluoropyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178744
3-[(6-bromopyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106178733
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
CID 79880391
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 66327907
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 64550559) is 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1cc(Cl)ncn1.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is ZXEYUESLQZAECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-9(2,5-14)13-8-4-7(10)11-6-12-8/h4,6,14H,3,5H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64550559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).