(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol

C8H12IN3O — CID 130683912

IUPAC(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
SMILESCC[C@H](O)CNc1ncc(I)cn1
InChIInChI=1S/C8H12IN3O/c1-2-7(13)5-12-8-10-3-6(9)4-11-8/h3-4,7,13H,2,5H2,1H3,(H,10,11,12)/t7-/m0/s1
InChIKeyCIGUDAGTNFMOKS-ZETCQYMHSA-N
MW293.11 g/mol
LogP1.26
Rot. Bonds4

About (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol

(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol (PubChem CID 130683912) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
PubChem CID130683912
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol
SMILESCC[C@H](O)CNc1ncc(I)cn1
InChIInChI=1S/C8H12IN3O/c1-2-7(13)5-12-8-10-3-6(9)4-11-8/h3-4,7,13H,2,5H2,1H3,(H,10,11,12)/t7-/m0/s1
InChIKeyCIGUDAGTNFMOKS-ZETCQYMHSA-N
XLogP1.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.26
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-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092
1-[(5-iodopyrimidin-2-yl)amino]-4,4-dimethylpentan-2-ol
CID 104843838
3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol
CID 104844107
5-iodo-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-2-amine
CID 102907842
N-butan-2-yl-5-iodopyrimidin-2-amine
CID 104839757
N-(1-chlorobutan-2-yl)-5-iodopyrimidin-2-amine
CID 116649507
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831
N-(4-chloro-2-methylbutyl)-5-iodopyrimidin-2-amine
CID 116649542
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol
CID 114476222
1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol
CID 115564312
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol?
The IUPAC name of (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol (CID 130683912) is (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol.
What is the SMILES notation for (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol?
The canonical SMILES for (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol is CC[C@H](O)CNc1ncc(I)cn1.
What is the InChIKey of (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol?
The InChIKey is CIGUDAGTNFMOKS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-2-7(13)5-12-8-10-3-6(9)4-11-8/h3-4,7,13H,2,5H2,1H3,(H,10,11,12)/t7-/m0/s1.
What are the key properties of (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol?
(2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol has a molecular weight of 293.11 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-iodopyrimidin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 130683912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).