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

C10H17BrN4O — CID 106358212

IUPAC3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1nc(N)ncc1Br
InChIInChI=1S/C10H17BrN4O/c1-6(2)8(3-4-16)14-9-7(11)5-13-10(12)15-9/h5-6,8,16H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyPYGKYQGTTDYOHF-UHFFFAOYSA-N
MW289.18 g/mol
LogP1.64
Rot. Bonds5

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

3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 106358212) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID106358212
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1nc(N)ncc1Br
InChIInChI=1S/C10H17BrN4O/c1-6(2)8(3-4-16)14-9-7(11)5-13-10(12)15-9/h5-6,8,16H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyPYGKYQGTTDYOHF-UHFFFAOYSA-N
XLogP1.64
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 58796222
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106352563
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
2-[(2-amino-5-bromopyrimidin-4-yl)amino]ethanol
CID 80766317
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350476
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416
3-[(6-amino-3-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348304
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366526
2-[(2-amino-5-nitropyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 114045446
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358434
5-bromo-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801571

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 106358212) is 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1nc(N)ncc1Br.
What is the InChIKey of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is PYGKYQGTTDYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-6(2)8(3-4-16)14-9-7(11)5-13-10(12)15-9/h5-6,8,16H,3-4H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 289.18 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromopyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106358212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).