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

C15H20N4O — CID 82191626

IUPACN'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
SMILESCOc1cccc(-c2cc(C)nc(NCCCN)n2)c1
InChIInChI=1S/C15H20N4O/c1-11-9-14(12-5-3-6-13(10-12)20-2)19-15(18-11)17-8-4-7-16/h3,5-6,9-10H,4,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyOXGFKOXKSYEPNS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds6

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

N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine (PubChem CID 82191626) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
PubChem CID82191626
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine
SMILESCOc1cccc(-c2cc(C)nc(NCCCN)n2)c1
InChIInChI=1S/C15H20N4O/c1-11-9-14(12-5-3-6-13(10-12)20-2)19-15(18-11)17-8-4-7-16/h3,5-6,9-10H,4,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyOXGFKOXKSYEPNS-UHFFFAOYSA-N
XLogP2.22
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-(3-methoxyphenyl)-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]propane-1,3-diamine
CID 82191629
N'-[4-methyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]propane-1,3-diamine
CID 82191630
4-(3-methoxyphenyl)-2,6-dimethylpyrimidine
CID 116897003
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492
N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211775
1-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896700
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 71655715
4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112921111
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
3-(3-methoxyphenyl)-1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]pyrazole-5-carboxamide
CID 122294975
6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11567086

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
The IUPAC name of N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine (CID 82191626) is N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
The canonical SMILES for N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine is COc1cccc(-c2cc(C)nc(NCCCN)n2)c1.
What is the InChIKey of N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
The InChIKey is OXGFKOXKSYEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-9-14(12-5-3-6-13(10-12)20-2)19-15(18-11)17-8-4-7-16/h3,5-6,9-10H,4,7-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine?
N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methoxyphenyl)-6-methylpyrimidin-2-yl]propane-1,3-diamine is sourced from PubChem (CID 82191626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).