N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine

C10H12IN3 — CID 104843859

IUPACN-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
SMILESIc1cnc(NC2CC=CCC2)nc1
InChIInChI=1S/C10H12IN3/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5H2,(H,12,13,14)
InChIKeyVLKRZIBUHIZIGY-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.60
Rot. Bonds2

About N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine

N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine (PubChem CID 104843859) has the molecular formula C10H12IN3 and a molecular weight of 301.13 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
PubChem CID104843859
Molecular FormulaC10H12IN3
Molecular Weight301.13 g/mol
Exact Mass301.01
IUPAC NameN-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
SMILESIc1cnc(NC2CC=CCC2)nc1
InChIInChI=1S/C10H12IN3/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5H2,(H,12,13,14)
InChIKeyVLKRZIBUHIZIGY-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
N-(3,5-dimethylcyclohexyl)-5-iodopyrimidin-2-amine
CID 116648422
5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
CID 130540607
N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133322747
2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
CID 102768646
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
5-iodo-N-(2-methyloxan-4-yl)pyrimidin-2-amine
CID 104844272
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 113459447
2-[4-[(5-iodopyrimidin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 104843729
3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
CID 114835973
2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
CID 79176344

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine (CID 104843859) is N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine is Ic1cnc(NC2CC=CCC2)nc1.
What is the InChIKey of N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine?
The InChIKey is VLKRZIBUHIZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-2,6-7,9H,3-5H2,(H,12,13,14).
What are the key properties of N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine?
N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine has a molecular weight of 301.13 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine is sourced from PubChem (CID 104843859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).