N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine

C15H20N4 — CID 61226497

IUPACN'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
SMILESCc1cc(NCCCN(C)c2ccccc2)ncn1
InChIInChI=1S/C15H20N4/c1-13-11-15(18-12-17-13)16-9-6-10-19(2)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyOOERTIZNEMKCGV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.72
Rot. Bonds6

About N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine

N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine (PubChem CID 61226497) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
PubChem CID61226497
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
SMILESCc1cc(NCCCN(C)c2ccccc2)ncn1
InChIInChI=1S/C15H20N4/c1-13-11-15(18-12-17-13)16-9-6-10-19(2)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyOOERTIZNEMKCGV-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.72
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

6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
N'-methyl-N'-phenyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 43236143
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine (CID 61226497) is N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine is Cc1cc(NCCCN(C)c2ccccc2)ncn1.
What is the InChIKey of N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
The InChIKey is OOERTIZNEMKCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-11-15(18-12-17-13)16-9-6-10-19(2)14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine?
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 61226497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).