6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine

C16H23N5 — CID 80771230

IUPAC6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCN(C)c2ccccc2)ncn1
InChIInChI=1S/C16H23N5/c1-3-17-15-12-16(20-13-19-15)18-10-7-11-21(2)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyYSPFPWWTFJDBRC-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.85
Rot. Bonds8

About 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine

6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine (PubChem CID 80771230) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
PubChem CID80771230
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCCN(C)c2ccccc2)ncn1
InChIInChI=1S/C16H23N5/c1-3-17-15-12-16(20-13-19-15)18-10-7-11-21(2)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyYSPFPWWTFJDBRC-UHFFFAOYSA-N
XLogP2.85
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydrazinylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80932869
N'-methyl-N-(6-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 61226497
N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351
N-(6-chloropyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60726185
N-(6-methoxy-2-pyridinyl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 63591094
N'-benzyl-N-(6-ethylpyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 61236239
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 80938806
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379
6-N-methyl-2-N-[3-(N-methylanilino)propyl]pyrazine-2,6-diamine
CID 80784811
6-N-[3-(dimethylamino)propyl]-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857728
N-(6-ethylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 61233848
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
CID 106556651

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine (CID 80771230) is 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine is CCNc1cc(NCCCN(C)c2ccccc2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine?
The InChIKey is YSPFPWWTFJDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-17-15-12-16(20-13-19-15)18-10-7-11-21(2)14-8-5-4-6-9-14/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine has a molecular weight of 285.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[3-(N-methylanilino)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80771230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).