N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine

C14H18N4 — CID 117212373

IUPACN'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
SMILESCc1cccc(-c2ncc(NCCCN)cn2)c1
InChIInChI=1S/C14H18N4/c1-11-4-2-5-12(8-11)14-17-9-13(10-18-14)16-7-3-6-15/h2,4-5,8-10,16H,3,6-7,15H2,1H3
InChIKeyBNEGRFDJBSENQJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.21
Rot. Bonds5

About N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine

N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine (PubChem CID 117212373) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
PubChem CID117212373
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine
SMILESCc1cccc(-c2ncc(NCCCN)cn2)c1
InChIInChI=1S/C14H18N4/c1-11-4-2-5-12(8-11)14-17-9-13(10-18-14)16-7-3-6-15/h2,4-5,8-10,16H,3,6-7,15H2,1H3
InChIKeyBNEGRFDJBSENQJ-UHFFFAOYSA-N
XLogP2.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212327
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212394
N'-[2-(4-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212348
N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231174
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N'-[2-(4-bromophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212350
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
N'-(2-methylpyrimidin-5-yl)ethane-1,2-diamine
CID 84649652
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
N'-[2-(2-fluorophenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212334
[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
CID 83893690
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 46993388

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine (CID 117212373) is N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine is Cc1cccc(-c2ncc(NCCCN)cn2)c1.
What is the InChIKey of N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine?
The InChIKey is BNEGRFDJBSENQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-4-2-5-12(8-11)14-17-9-13(10-18-14)16-7-3-6-15/h2,4-5,8-10,16H,3,6-7,15H2,1H3.
What are the key properties of N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine?
N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenyl)pyrimidin-5-yl]propane-1,3-diamine is sourced from PubChem (CID 117212373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).