N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine

C16H22N4O — CID 82191629

IUPACN'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
SMILESCCOc1ccc(-c2cc(C)nc(NCCCN)n2)cc1
InChIInChI=1S/C16H22N4O/c1-3-21-14-7-5-13(6-8-14)15-11-12(2)19-16(20-15)18-10-4-9-17/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyUULARJPFXOKQQV-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.61
Rot. Bonds7

About N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine

N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine (PubChem CID 82191629) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
PubChem CID82191629
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
SMILESCCOc1ccc(-c2cc(C)nc(NCCCN)n2)cc1
InChIInChI=1S/C16H22N4O/c1-3-21-14-7-5-13(6-8-14)15-11-12(2)19-16(20-15)18-10-4-9-17/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,19,20)
InChIKeyUULARJPFXOKQQV-UHFFFAOYSA-N
XLogP2.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-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'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492
N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 82191630
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
CID 82191626
[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
CID 116893816
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
N'-[5-(4-methylphenoxy)pyrimidin-2-yl]propane-1,3-diamine
CID 117224560
N'-[5-(4-ethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 28853164
N-[2-(4-chlorophenoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78848661
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
4-(4-ethoxy-3-fluorophenyl)-N,6-dimethylpyrimidin-2-amine
CID 116894641
3-[[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]amino]propanoic acid
CID 82192909
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
The IUPAC name of N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine (CID 82191629) is N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine is CCOc1ccc(-c2cc(C)nc(NCCCN)n2)cc1.
What is the InChIKey of N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
The InChIKey is UULARJPFXOKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-21-14-7-5-13(6-8-14)15-11-12(2)19-16(20-15)18-10-4-9-17/h5-8,11H,3-4,9-10,17H2,1-2H3,(H,18,19,20).
What are the key properties of N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 82191629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).