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

C10H16IN3O — CID 66340998

IUPAC2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ncncc1I
InChIInChI=1S/C10H16IN3O/c1-7(2)3-8(5-15)14-10-9(11)4-12-6-13-10/h4,6-8,15H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyAIWLPAJGDDZZJZ-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.90
Rot. Bonds5

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

2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol (PubChem CID 66340998) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol
PubChem CID66340998
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)Nc1ncncc1I
InChIInChI=1S/C10H16IN3O/c1-7(2)3-8(5-15)14-10-9(11)4-12-6-13-10/h4,6-8,15H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyAIWLPAJGDDZZJZ-UHFFFAOYSA-N
XLogP1.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol (CID 66340998) is 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol is CC(C)CC(CO)Nc1ncncc1I.
What is the InChIKey of 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
The InChIKey is AIWLPAJGDDZZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-7(2)3-8(5-15)14-10-9(11)4-12-6-13-10/h4,6-8,15H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol?
2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol has a molecular weight of 321.16 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 66340998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).