3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol

C7H10IN3O — CID 66340103

IUPAC3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1ncncc1I
InChIInChI=1S/C7H10IN3O/c8-6-4-9-5-11-7(6)10-2-1-3-12/h4-5,12H,1-3H2,(H,9,10,11)
InChIKeyDSTIGHPFWPUIFK-UHFFFAOYSA-N
MW279.08 g/mol
LogP0.88
Rot. Bonds4

About 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol

3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol (PubChem CID 66340103) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
PubChem CID66340103
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC Name3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1ncncc1I
InChIInChI=1S/C7H10IN3O/c8-6-4-9-5-11-7(6)10-2-1-3-12/h4-5,12H,1-3H2,(H,9,10,11)
InChIKeyDSTIGHPFWPUIFK-UHFFFAOYSA-N
XLogP0.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(5-iodopyrimidin-4-yl)amino]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

N-butyl-5-iodopyrimidin-4-amine
CID 65418648
5-iodo-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66340148
N-[2-[(5-iodopyrimidin-4-yl)amino]ethyl]acetamide
CID 66340325
N-cyclopropyl-4-[(5-iodopyrimidin-4-yl)amino]butanamide
CID 79401058
2-[(5-iodopyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106337621
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 66340998
N-[2-(chloromethyl)-2-ethylbutyl]-5-iodopyrimidin-4-amine
CID 106252724
N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
CID 65418018
2-[(5-iodopyrimidin-4-yl)amino]-2-methylpropanamide
CID 66340117
5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973134
3-[(5-iodopyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106278251

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol (CID 66340103) is 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol is OCCCNc1ncncc1I.
What is the InChIKey of 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is DSTIGHPFWPUIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c8-6-4-9-5-11-7(6)10-2-1-3-12/h4-5,12H,1-3H2,(H,9,10,11).
What are the key properties of 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol?
3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 279.08 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 66340103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).