3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol

C9H14BrN3O — CID 115715016

IUPAC3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)Nc1ncncc1Br
InChIInChI=1S/C9H14BrN3O/c1-6(4-14)7(2)13-9-8(10)3-11-5-12-9/h3,5-7,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyIUHUTLLPFNCOID-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.67
Rot. Bonds4

About 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol

3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 115715016) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID115715016
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)Nc1ncncc1Br
InChIInChI=1S/C9H14BrN3O/c1-6(4-14)7(2)13-9-8(10)3-11-5-12-9/h3,5-7,14H,4H2,1-2H3,(H,11,12,13)
InChIKeyIUHUTLLPFNCOID-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 79248958
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679
2-[(5-bromopyrimidin-4-yl)amino]propanoic acid
CID 83843664
3-N-(5-bromopyrimidin-4-yl)butane-1,3-diamine
CID 83180764
5-bromo-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 66341943
methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
CID 66342541
5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 66342606
2-[(5-bromopyrimidin-4-yl)amino]-N-propylpropanamide
CID 66340999
5-bromo-N-(4-methylsulfanylbutan-2-yl)pyrimidin-4-amine
CID 115714993
5-bromo-N-(1-phenylpropan-2-yl)pyrimidin-4-amine
CID 66340366
5-bromo-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-4-amine
CID 66339912

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 115715016) is 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol is CC(CO)C(C)Nc1ncncc1Br.
What is the InChIKey of 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is IUHUTLLPFNCOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-6(4-14)7(2)13-9-8(10)3-11-5-12-9/h3,5-7,14H,4H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol?
3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 260.13 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromopyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 115715016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).