6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine

C11H16N4O — CID 5329584

IUPAC6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1cc(OCC2CC=CCC2)nc(N)n1
InChIInChI=1S/C11H16N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-2,6,8H,3-5,7H2,(H4,12,13,14,15)
InChIKeyBDXOOIKCYFPEDZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.38
Rot. Bonds3

About 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine

6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine (PubChem CID 5329584) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine
PubChem CID5329584
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1cc(OCC2CC=CCC2)nc(N)n1
InChIInChI=1S/C11H16N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-2,6,8H,3-5,7H2,(H4,12,13,14,15)
InChIKeyBDXOOIKCYFPEDZ-UHFFFAOYSA-N
XLogP1.38
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Cyclohexylmethoxy)pyrimidine-2,4-diamine
CID 398147
6-(Cyclohexylmethoxy)pyrimidin-4-amine
CID 80880310
6-(Cyclohexylmethoxy)-2-fluoropyrimidin-4-amine
CID 11816971
N-methyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773587
6-[(6-Methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773588
6-(2-Ethylhexoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773636
6-(Cyclohexylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774495
6-(2-Methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774837
[6-[(6-Methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776301
6-(4-Methylpentoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 113875712
4-Fluoro-6-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidine
CID 115416053
6-(cyclohexylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 9794701

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine (CID 5329584) is 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine is Nc1cc(OCC2CC=CCC2)nc(N)n1.
What is the InChIKey of 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine?
The InChIKey is BDXOOIKCYFPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-2,6,8H,3-5,7H2,(H4,12,13,14,15).
What are the key properties of 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine?
6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine has a molecular weight of 220.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 5329584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).