2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine

C12H20N4 — CID 59482057

IUPAC2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine
SMILESCN(C)C1=NC(C2CC=CCC2)N=C(N)C1
InChIInChI=1S/C12H20N4/c1-16(2)11-8-10(13)14-12(15-11)9-6-4-3-5-7-9/h3-4,9,12H,5-8H2,1-2H3,(H2,13,14)
InChIKeyCGLZZKIRUKMZMU-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.39
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine

2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine (PubChem CID 59482057) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine
PubChem CID59482057
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine
SMILESCN(C)C1=NC(C2CC=CCC2)N=C(N)C1
InChIInChI=1S/C12H20N4/c1-16(2)11-8-10(13)14-12(15-11)9-6-4-3-5-7-9/h3-4,9,12H,5-8H2,1-2H3,(H2,13,14)
InChIKeyCGLZZKIRUKMZMU-UHFFFAOYSA-N
XLogP1.39
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine?
The IUPAC name of 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine (CID 59482057) is 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine is CN(C)C1=NC(C2CC=CCC2)N=C(N)C1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine?
The InChIKey is CGLZZKIRUKMZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16(2)11-8-10(13)14-12(15-11)9-6-4-3-5-7-9/h3-4,9,12H,5-8H2,1-2H3,(H2,13,14).
What are the key properties of 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine?
2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine is sourced from PubChem (CID 59482057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).