N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine

C15H20N4 — CID 116977474

IUPACN,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
SMILESCNCCCN(C)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-16-9-6-10-19(2)15-17-11-14(12-18-15)13-7-4-3-5-8-13/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3
InChIKeyCJCLAURGMYKWQA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.19
Rot. Bonds6

About N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine

N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 116977474) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID116977474
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
SMILESCNCCCN(C)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C15H20N4/c1-16-9-6-10-19(2)15-17-11-14(12-18-15)13-7-4-3-5-8-13/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3
InChIKeyCJCLAURGMYKWQA-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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

N'-(5-fluoropyrimidin-2-yl)-N,N'-dimethylpropane-1,3-diamine
CID 104606129
N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 40557940
3-[[5-(4-bromophenyl)pyrimidin-2-yl]-methylamino]propan-1-ol
CID 116977713
N,N'-dimethyl-N'-[5-(5-methylfuran-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 116977334
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 63872493
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
N'-[5-(4-bromophenyl)pyrimidin-2-yl]-N'-methylpropane-1,3-diamine
CID 116977443
3-[[5-(4-bromophenyl)pyrimidin-2-yl]-methylamino]propanoic acid
CID 116977773
5-bromo-N-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 55251700
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 116977265
4-[methyl-[5-(1H-pyrrol-3-yl)pyrimidin-2-yl]amino]butanoic acid
CID 116977793

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine (CID 116977474) is N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine is CNCCCN(C)c1ncc(-c2ccccc2)cn1.
What is the InChIKey of N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is CJCLAURGMYKWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-9-6-10-19(2)15-17-11-14(12-18-15)13-7-4-3-5-8-13/h3-5,7-8,11-12,16H,6,9-10H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine?
N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116977474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).