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

C11H18IN3O — CID 116648440

IUPAC1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncc(I)cn1
InChIInChI=1S/C11H18IN3O/c1-8(2)4-11(3,16)7-15-10-13-5-9(12)6-14-10/h5-6,8,16H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyUAFLMJLEKFVRPY-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.29
Rot. Bonds5

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

1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 116648440) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID116648440
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1ncc(I)cn1
InChIInChI=1S/C11H18IN3O/c1-8(2)4-11(3,16)7-15-10-13-5-9(12)6-14-10/h5-6,8,16H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyUAFLMJLEKFVRPY-UHFFFAOYSA-N
XLogP2.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-aminopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66180510
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 114600677
1-[(5-iodopyrimidin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 104843880
2,4-dimethyl-1-(thieno[2,3-d]pyrimidin-2-ylamino)pentan-2-ol
CID 114273441
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 114093632
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
2,5-dimethyl-1-[(5-methylpyrimidin-2-yl)amino]hexan-2-ol
CID 133403070
2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
CID 66178619
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
5-iodo-N-(2-methyl-2-methylsulfanylpropyl)pyrimidin-2-amine
CID 104844019
1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104843838
1-[(4-iodophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66181180

Frequently Asked Questions

What is the IUPAC name of 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 116648440) is 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1ncc(I)cn1.
What is the InChIKey of 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is UAFLMJLEKFVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-8(2)4-11(3,16)7-15-10-13-5-9(12)6-14-10/h5-6,8,16H,4,7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 335.19 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 116648440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).