6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine

C8H9IN4 — CID 135254602

IUPAC6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine
SMILES[H]/N=C/C(=C\C)c1cc(NI)ncn1
InChIInChI=1S/C8H9IN4/c1-2-6(4-10)7-3-8(13-9)12-5-11-7/h2-5,10H,1H3,(H,11,12,13)/b6-2+,10-4+
InChIKeyQEIDWIDKFRJTKD-ODCMHONUSA-N
MW288.09 g/mol
LogP2.29
Rot. Bonds3

About 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine

6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine (PubChem CID 135254602) has the molecular formula C8H9IN4 and a molecular weight of 288.09 g/mol. Its IUPAC name is 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine
PubChem CID135254602
Molecular FormulaC8H9IN4
Molecular Weight288.09 g/mol
Exact Mass287.99
IUPAC Name6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine
SMILES[H]/N=C/C(=C\C)c1cc(NI)ncn1
InChIInChI=1S/C8H9IN4/c1-2-6(4-10)7-3-8(13-9)12-5-11-7/h2-5,10H,1H3,(H,11,12,13)/b6-2+,10-4+
InChIKeyQEIDWIDKFRJTKD-ODCMHONUSA-N
XLogP2.29
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-phenylbut-2-en-1-imine;propane
CID 166165004
4-(6-aminopyridine-2-carboximidoyl)-6-(1-iminobut-2-en-2-yl)pyridin-3-amine
CID 123651554
N-cyclopropyl-6-[(3R)-3-(methylamino)butanimidoyl]pyrimidin-4-amine
CID 174558943
(E)-2-(4-methylfuran-2-yl)but-2-en-1-imine
CID 163942230
6-[2-amino-5-[(E)-1-(methylamino)prop-1-en-2-yl]benzenecarboximidoyl]-N-methylpyrimidin-4-amine
CID 144697128
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338241
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
6-(tert-butylamino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353389
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
N-(3,5-dimethylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339512

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine?
The IUPAC name of 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine (CID 135254602) is 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine.
What is the SMILES notation for 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine?
The canonical SMILES for 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine is [H]/N=C/C(=C\C)c1cc(NI)ncn1.
What is the InChIKey of 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine?
The InChIKey is QEIDWIDKFRJTKD-ODCMHONUSA-N. The full InChI is InChI=1S/C8H9IN4/c1-2-6(4-10)7-3-8(13-9)12-5-11-7/h2-5,10H,1H3,(H,11,12,13)/b6-2+,10-4+.
What are the key properties of 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine?
6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine has a molecular weight of 288.09 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-1-iminobut-2-en-2-yl]-N-iodopyrimidin-4-amine is sourced from PubChem (CID 135254602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).