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

C14H17ClN4 — CID 60726185

IUPACN-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C14H17ClN4/c1-19(12-6-3-2-4-7-12)9-5-8-16-14-10-13(15)17-11-18-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17,18)
InChIKeyOIMQESWSHRGCMA-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.07
Rot. Bonds6

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

N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (PubChem CID 60726185) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
PubChem CID60726185
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C14H17ClN4/c1-19(12-6-3-2-4-7-12)9-5-8-16-14-10-13(15)17-11-18-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17,18)
InChIKeyOIMQESWSHRGCMA-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.07
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'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
CID 80771230
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351
N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile
CID 83077592
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
6-chloro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193067
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-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine (CID 60726185) is N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is CN(CCCNc1cc(Cl)ncn1)c1ccccc1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
The InChIKey is OIMQESWSHRGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-19(12-6-3-2-4-7-12)9-5-8-16-14-10-13(15)17-11-18-14/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine?
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine has a molecular weight of 276.77 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 60726185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).