N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

C15H20N4 — CID 62698006

IUPACN'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)Cc2ncccn2)c1
InChIInChI=1S/C15H20N4/c1-13-5-2-6-14(11-13)19(10-3-7-16)12-15-17-8-4-9-18-15/h2,4-6,8-9,11H,3,7,10,12,16H2,1H3
InChIKeySVKDBSMETCLTKC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.14
Rot. Bonds6

About N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine

N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (PubChem CID 62698006) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
PubChem CID62698006
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
SMILESCc1cccc(N(CCCN)Cc2ncccn2)c1
InChIInChI=1S/C15H20N4/c1-13-5-2-6-14(11-13)19(10-3-7-16)12-15-17-8-4-9-18-15/h2,4-6,8-9,11H,3,7,10,12,16H2,1H3
InChIKeySVKDBSMETCLTKC-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 61494615
3-N-propyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 63230380
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 104606031
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
N,N-dibutyl-3-methylaniline
CID 15332677
N'-methyl-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62700832
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
N'-[(3,5-dimethylphenyl)methyl]-N'-phenylpropane-1,3-diamine
CID 61029753
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine (CID 62698006) is N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is Cc1cccc(N(CCCN)Cc2ncccn2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is SVKDBSMETCLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13-5-2-6-14(11-13)19(10-3-7-16)12-15-17-8-4-9-18-15/h2,4-6,8-9,11H,3,7,10,12,16H2,1H3.
What are the key properties of N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine?
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62698006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).