N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine

C13H24N4 — CID 114276577

IUPACN'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1cc(C)nc(CC)n1
InChIInChI=1S/C13H24N4/c1-5-7-14-8-9-17(4)13-10-11(3)15-12(6-2)16-13/h10,14H,5-9H2,1-4H3
InChIKeyLKRFCBNJDAJQBX-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds7

About N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine

N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine (PubChem CID 114276577) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
PubChem CID114276577
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
SMILESCCCNCCN(C)c1cc(C)nc(CC)n1
InChIInChI=1S/C13H24N4/c1-5-7-14-8-9-17(4)13-10-11(3)15-12(6-2)16-13/h10,14H,5-9H2,1-4H3
InChIKeyLKRFCBNJDAJQBX-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-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

N'-(2,6-dimethylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 62593196
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 50956229
4-N-butyl-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80933822
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
2-ethyl-4,6-dimethylpyrimidine
CID 23533396
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-propylethane-1,2-diamine
CID 55090908
4-N-(2-ethoxyethyl)-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 81068419
4-N,6-dimethyl-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796012
2-ethyl-4-N,6-N-dimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80933276
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 105368619
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine (CID 114276577) is N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine is CCCNCCN(C)c1cc(C)nc(CC)n1.
What is the InChIKey of N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
The InChIKey is LKRFCBNJDAJQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-7-14-8-9-17(4)13-10-11(3)15-12(6-2)16-13/h10,14H,5-9H2,1-4H3.
What are the key properties of N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine?
N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylpyrimidin-4-yl)-N'-methyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 114276577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).