2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol

C9H13BrClN3O — CID 79073119

IUPAC2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C9H13BrClN3O/c1-3-9(2,5-15)14-7-6(10)4-12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyLJBOJHANOYGMCH-UHFFFAOYSA-N
MW294.58 g/mol
LogP2.47
Rot. Bonds4

About 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol

2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 79073119) has the molecular formula C9H13BrClN3O and a molecular weight of 294.58 g/mol. Its IUPAC name is 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID79073119
Molecular FormulaC9H13BrClN3O
Molecular Weight294.58 g/mol
Exact Mass292.99
IUPAC Name2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C9H13BrClN3O/c1-3-9(2,5-15)14-7-6(10)4-12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyLJBOJHANOYGMCH-UHFFFAOYSA-N
XLogP2.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 58890950
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192330
3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 79072822
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
3-bromo-5-chloro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329478
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 104506915
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
5-bromo-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106329876
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394
2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 155162232
2-[(5-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 64556637

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 79073119) is 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1nc(Cl)ncc1Br.
What is the InChIKey of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is LJBOJHANOYGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClN3O/c1-3-9(2,5-15)14-7-6(10)4-12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 294.58 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 79073119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).