4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

C13H24N4O — CID 80981884

IUPAC4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCOCCCNc1nc(CC)nc(NC)c1C
InChIInChI=1S/C13H24N4O/c1-5-11-16-12(14-4)10(3)13(17-11)15-8-7-9-18-6-2/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyQCIMDAOSCRCBGW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.23
Rot. Bonds8

About 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80981884) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80981884
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCOCCCNc1nc(CC)nc(NC)c1C
InChIInChI=1S/C13H24N4O/c1-5-11-16-12(14-4)10(3)13(17-11)15-8-7-9-18-6-2/h5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyQCIMDAOSCRCBGW-UHFFFAOYSA-N
XLogP2.23
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.23
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-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
2-tert-butyl-6-N,5-dimethyl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82941053
4-N-(3-cyclopentylpropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106015127
6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82946495
2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523193
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933354
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
4-N-(2-cyclohexylethyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80986153
4-N-(3-ethoxypropyl)-2-ethyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455728
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80981884) is 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is CCOCCCNc1nc(CC)nc(NC)c1C.
What is the InChIKey of 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is QCIMDAOSCRCBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11-16-12(14-4)10(3)13(17-11)15-8-7-9-18-6-2/h5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).