4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine

C12H20N4O — CID 79917375

IUPAC4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCCOC1CCCCC1
InChIInChI=1S/C12H20N4O/c13-11-8-14-9-16-12(11)15-6-7-17-10-4-2-1-3-5-10/h8-10H,1-7,13H2,(H,14,15,16)
InChIKeyRMULZPNESNKRHF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.82
Rot. Bonds5

About 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine

4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine (PubChem CID 79917375) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
PubChem CID79917375
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
SMILESNc1cncnc1NCCOC1CCCCC1
InChIInChI=1S/C12H20N4O/c13-11-8-14-9-16-12(11)15-6-7-17-10-4-2-1-3-5-10/h8-10H,1-7,13H2,(H,14,15,16)
InChIKeyRMULZPNESNKRHF-UHFFFAOYSA-N
XLogP1.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-cyclopentyloxyethyl)pyridine-2,3-diamine
CID 63825844
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
2-N-(2-cyclohexyloxyethyl)pyrazine-2,6-diamine
CID 78988775
5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
CID 55259715
2-N-(2-cyclopentyloxyethyl)pyrazine-2,6-diamine
CID 78988738
N-(2-cyclohexyloxyethyl)pyrazin-2-amine
CID 61064390
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
4-N-(2-cyclopentyloxyethyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80819121
4-N-(2-methylsulfonylethyl)pyrimidine-4,5-diamine
CID 79915723
2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine
CID 102768489
3,5-dichloro-N-(2-cyclopentyloxyethyl)pyridin-2-amine
CID 55261073
4-N-(thian-2-ylmethyl)pyrimidine-4,5-diamine
CID 80595606

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine (CID 79917375) is 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine is Nc1cncnc1NCCOC1CCCCC1.
What is the InChIKey of 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine?
The InChIKey is RMULZPNESNKRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-11-8-14-9-16-12(11)15-6-7-17-10-4-2-1-3-5-10/h8-10H,1-7,13H2,(H,14,15,16).
What are the key properties of 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine?
4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79917375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).