3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol

C9H15BrN4OS — CID 106311435

IUPAC3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
SMILESNc1cc(Br)nc(NCCSCCCO)n1
InChIInChI=1S/C9H15BrN4OS/c10-7-6-8(11)14-9(13-7)12-2-5-16-4-1-3-15/h6,15H,1-5H2,(H3,11,12,13,14)
InChIKeyLDKUPCXSXWYBDT-UHFFFAOYSA-N
MW307.22 g/mol
LogP1.35
Rot. Bonds7

About 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 106311435) has the molecular formula C9H15BrN4OS and a molecular weight of 307.22 g/mol. Its IUPAC name is 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
PubChem CID106311435
Molecular FormulaC9H15BrN4OS
Molecular Weight307.22 g/mol
Exact Mass306.01
IUPAC Name3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
SMILESNc1cc(Br)nc(NCCSCCCO)n1
InChIInChI=1S/C9H15BrN4OS/c10-7-6-8(11)14-9(13-7)12-2-5-16-4-1-3-15/h6,15H,1-5H2,(H3,11,12,13,14)
InChIKeyLDKUPCXSXWYBDT-UHFFFAOYSA-N
XLogP1.35
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-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

3-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 103824456
3-[2-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114172004
4-[(4-amino-6-bromopyrimidin-2-yl)amino]butan-2-ol
CID 116796030
3-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311801
3-[2-[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 104696769
3-[2-[(6-amino-2-phenylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311691
3-[2-(2-amino-5-bromoanilino)ethylsulfanyl]propan-1-ol
CID 106309116
6-bromo-2-N-(3-butoxypropyl)pyrimidine-2,4-diamine
CID 116797411
6-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 116795747
3-[2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311808
3-[2-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethylsulfanyl]propan-1-ol
CID 111104935
6-bromo-2-N-but-2-ynylpyrimidine-2,4-diamine
CID 116797359

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol (CID 106311435) is 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol is Nc1cc(Br)nc(NCCSCCCO)n1.
What is the InChIKey of 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is LDKUPCXSXWYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4OS/c10-7-6-8(11)14-9(13-7)12-2-5-16-4-1-3-15/h6,15H,1-5H2,(H3,11,12,13,14).
What are the key properties of 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 307.22 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-amino-6-bromopyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106311435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).