2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine

C12H20N4 — CID 176531692

IUPAC2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine
SMILES[H]/N=C1\CC(N(C)C)=NC(C2CC=CCC2)N1
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
LogP1.60
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine

2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine (PubChem CID 176531692) 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-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine
PubChem CID176531692
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine
SMILES[H]/N=C1\CC(N(C)C)=NC(C2CC=CCC2)N1
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
XLogP1.60
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclohex-3-en-1-yl-6-N,6-N-dimethyl-2,5-dihydropyrimidine-4,6-diamine
CID 59482057
(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine
CID 163694350
3-amino-N-(3-aminopropyl)-N'-[[(4-octylcyclohex-2-en-1-yl)amino]methyl]propanimidamide
CID 173889752
N-[C-(cyclohex-3-en-1-ylmethyl)-N-methylcarbonimidoyl]-2-methylpropanimidamide
CID 176529429
2-cyclohex-3-en-1-yl-4-N,4-N-dimethyl-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176537741
1-[4-[2-[(Z)-pentadec-8-enyl]-5,6-dihydro-4H-pyrimidin-1-yl]butyl]guanidine
CID 176545223
N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79508262
N-(cyclohex-3-en-1-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508370
N-(cyclohex-3-en-1-ylmethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508371

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine?
The IUPAC name of 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine (CID 176531692) is 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine?
The canonical SMILES for 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine is [H]/N=C1\CC(N(C)C)=NC(C2CC=CCC2)N1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine?
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-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine?
2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-6-imino-N,N-dimethyl-2,5-dihydro-1H-pyrimidin-4-amine is sourced from PubChem (CID 176531692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).