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

C11H18IN3O — CID 104843838

IUPAC1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncc(I)cn1
InChIInChI=1S/C11H18IN3O/c1-11(2,3)4-9(16)7-15-10-13-5-8(12)6-14-10/h5-6,9,16H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyNIKYDAMIZJSCHG-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.29
Rot. Bonds4

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

1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 104843838) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID104843838
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1ncc(I)cn1
InChIInChI=1S/C11H18IN3O/c1-11(2,3)4-9(16)7-15-10-13-5-8(12)6-14-10/h5-6,9,16H,4,7H2,1-3H3,(H,13,14,15)
InChIKeyNIKYDAMIZJSCHG-UHFFFAOYSA-N
XLogP2.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
CID 130683912
1-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 103746013
5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
CID 102907842
N-(3,3-dimethylbutyl)-5-iodopyrimidin-2-amine
CID 104840124
1-[(3,6-dimethylpyrazin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104695495
1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol
CID 104844107
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
1-[(3,5-dichloro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153275
1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153195
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153237

Frequently Asked Questions

What is the IUPAC name of 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol (CID 104843838) is 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1ncc(I)cn1.
What is the InChIKey of 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is NIKYDAMIZJSCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3O/c1-11(2,3)4-9(16)7-15-10-13-5-8(12)6-14-10/h5-6,9,16H,4,7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 335.19 g/mol, XLogP of 2.29, 4 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]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 104843838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).