4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile

C7H7IN4 — CID 129081940

IUPAC4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile
SMILESC[C@H](I)c1ncnc(N)c1C#N
InChIInChI=1S/C7H7IN4/c1-4(8)6-5(2-9)7(10)12-3-11-6/h3-4H,1H3,(H2,10,11,12)/t4-/m0/s1
InChIKeyAKYGDRFSWLWPBT-BYPYZUCNSA-N
MW274.06 g/mol
LogP1.43
Rot. Bonds1

About 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile

4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile (PubChem CID 129081940) has the molecular formula C7H7IN4 and a molecular weight of 274.06 g/mol. Its IUPAC name is 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile
PubChem CID129081940
Molecular FormulaC7H7IN4
Molecular Weight274.06 g/mol
Exact Mass273.97
IUPAC Name4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile
SMILESC[C@H](I)c1ncnc(N)c1C#N
InChIInChI=1S/C7H7IN4/c1-4(8)6-5(2-9)7(10)12-3-11-6/h3-4H,1H3,(H2,10,11,12)/t4-/m0/s1
InChIKeyAKYGDRFSWLWPBT-BYPYZUCNSA-N
XLogP1.43
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-methylsulfanylpyrimidine-5-carbonitrile
CID 83815913
4-amino-6-pyridin-4-ylpyrimidine-5-carbonitrile
CID 46739898
4-amino-6-piperidin-1-ylpyrimidine-5-carbonitrile
CID 90436574
2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
6-propan-2-yl-5-(2-pyrazin-2-ylethynyl)pyrimidin-4-amine
CID 118582235
4-amino-6-[[(1R)-1-(4-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 68910111
2-amino-5-chloro-4-methoxypyridine-3-carbonitrile
CID 124519381
4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 15331766
4-amino-6-[1-(4-oxo-2-phenyl-1H-quinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 122542391
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80841839
4-amino-6-[1-[(2S)-1-methyl-3-phenyl-2H-imidazol-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 151955106
3-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]butanenitrile
CID 80828255

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile (CID 129081940) is 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile is C[C@H](I)c1ncnc(N)c1C#N.
What is the InChIKey of 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile?
The InChIKey is AKYGDRFSWLWPBT-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H7IN4/c1-4(8)6-5(2-9)7(10)12-3-11-6/h3-4H,1H3,(H2,10,11,12)/t4-/m0/s1.
What are the key properties of 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile?
4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile has a molecular weight of 274.06 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(1S)-1-iodoethyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 129081940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).