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

C8H11BrClN3O — CID 58890950

IUPAC2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3O/c1-8(2,4-14)13-6-5(9)3-11-7(10)12-6/h3,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyDSKIMGPPQPXZGV-UHFFFAOYSA-N
MW280.55 g/mol
LogP2.08
Rot. Bonds3

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

2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol (PubChem CID 58890950) has the molecular formula C8H11BrClN3O and a molecular weight of 280.55 g/mol. Its IUPAC name is 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol
PubChem CID58890950
Molecular FormulaC8H11BrClN3O
Molecular Weight280.55 g/mol
Exact Mass278.98
IUPAC Name2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)ncc1Br
InChIInChI=1S/C8H11BrClN3O/c1-8(2,4-14)13-6-5(9)3-11-7(10)12-6/h3,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyDSKIMGPPQPXZGV-UHFFFAOYSA-N
XLogP2.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.55
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 79073119
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
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854394
N-[1-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 79072516
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
5-bromo-2-chloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79073107
5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
CID 143899539
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol (CID 58890950) is 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(Cl)ncc1Br.
What is the InChIKey of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
The InChIKey is DSKIMGPPQPXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3O/c1-8(2,4-14)13-6-5(9)3-11-7(10)12-6/h3,14H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol?
2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-methylpropan-1-ol has a molecular weight of 280.55 g/mol, XLogP of 2.08, 3 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-methylpropan-1-ol is sourced from PubChem (CID 58890950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).