6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine

C18H27N5 — CID 112870595

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C18H27N5/c1-5-15-9-6-7-10-16(15)22-18-13-17(20-14(2)21-18)19-11-8-12-23(3)4/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H2,19,20,21,22)
InChIKeyOYMABWHIFBNMLV-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.45
Rot. Bonds8

About 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine (PubChem CID 112870595) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
PubChem CID112870595
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C18H27N5/c1-5-15-9-6-7-10-16(15)22-18-13-17(20-14(2)21-18)19-11-8-12-23(3)4/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H2,19,20,21,22)
InChIKeyOYMABWHIFBNMLV-UHFFFAOYSA-N
XLogP3.45
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.45
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

6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870599
ethyl 2-[[6-[3-(dimethylamino)propylamino]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112870680
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112870627
6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870537
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870518
4-N-(4-chlorophenyl)-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870610
4-N-(2-ethylphenyl)-6-N-(furan-2-ylmethyl)-2-methylpyrimidine-4,6-diamine
CID 112871392
2-N-(2,6-diethylphenyl)-4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 112913514
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112874991
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine (CID 112870595) is 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine is CCc1ccccc1Nc1cc(NCCCN(C)C)nc(C)n1.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
The InChIKey is OYMABWHIFBNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-15-9-6-7-10-16(15)22-18-13-17(20-14(2)21-18)19-11-8-12-23(3)4/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine has a molecular weight of 313.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).