2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine

C13H24N4 — CID 80933276

IUPAC2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCN(C)c1cc(NC)nc(CC)n1
InChIInChI=1S/C13H24N4/c1-5-7-8-9-17(4)13-10-12(14-3)15-11(6-2)16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyLHSJVMTVXKQVLW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.71
Rot. Bonds7

About 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine

2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine (PubChem CID 80933276) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
PubChem CID80933276
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
SMILESCCCCCN(C)c1cc(NC)nc(CC)n1
InChIInChI=1S/C13H24N4/c1-5-7-8-9-17(4)13-10-12(14-3)15-11(6-2)16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKeyLHSJVMTVXKQVLW-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-butyl-6-N-ethyl-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945395
4-N-butan-2-yl-2-ethyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80934109
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216
4-N-butyl-6-N-ethyl-2-(methoxymethyl)-4-N-methylpyrimidine-4,6-diamine
CID 113401240
4-N-(2-ethoxyethyl)-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 81068419
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
6-N,2-diethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80942506
6-ethyl-2-N,4-N-dihexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 159008981
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80934878

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine (CID 80933276) is 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine is CCCCCN(C)c1cc(NC)nc(CC)n1.
What is the InChIKey of 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine?
The InChIKey is LHSJVMTVXKQVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-7-8-9-17(4)13-10-12(14-3)15-11(6-2)16-13/h10H,5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine?
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).