5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol

C10H16BrN3O2 — CID 107269299

IUPAC5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
SMILESCOc1nc(NCCCC(C)O)ncc1Br
InChIInChI=1S/C10H16BrN3O2/c1-7(15)4-3-5-12-10-13-6-8(11)9(14-10)16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNQSJVAGWWYCVMR-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.82
Rot. Bonds6

About 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol

5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol (PubChem CID 107269299) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
PubChem CID107269299
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
SMILESCOc1nc(NCCCC(C)O)ncc1Br
InChIInChI=1S/C10H16BrN3O2/c1-7(15)4-3-5-12-10-13-6-8(11)9(14-10)16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyNQSJVAGWWYCVMR-UHFFFAOYSA-N
XLogP1.82
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-methoxy-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 106997923
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 103746013
5-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-2-amine
CID 103768548
5-bromo-N-(2-ethoxypropyl)-4-methoxypyrimidin-2-amine
CID 103746057
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859
5-bromo-4-methoxy-N-(2-methylsulfinylpropyl)pyrimidin-2-amine
CID 103846782

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol (CID 107269299) is 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol is COc1nc(NCCCC(C)O)ncc1Br.
What is the InChIKey of 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol?
The InChIKey is NQSJVAGWWYCVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-7(15)4-3-5-12-10-13-6-8(11)9(14-10)16-2/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol?
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol has a molecular weight of 290.16 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).