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

C17H25N5 — CID 112870518

IUPAC4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCCN(C)C)cc(NCc2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-14-20-16(18-10-7-11-22(2)3)12-17(21-14)19-13-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H2,18,19,20,21)
InChIKeyZBSWVTVXWBHUMD-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.76
Rot. Bonds8

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

4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine (PubChem CID 112870518) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
PubChem CID112870518
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(NCCCN(C)C)cc(NCc2ccccc2)n1
InChIInChI=1S/C17H25N5/c1-14-20-16(18-10-7-11-22(2)3)12-17(21-14)19-13-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H2,18,19,20,21)
InChIKeyZBSWVTVXWBHUMD-UHFFFAOYSA-N
XLogP2.76
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.76
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-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870532
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870195
4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine
CID 112870568
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
6-N-[3-(dimethylamino)propyl]-4-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112870537
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
6-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869453
6-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112870595
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112870599
4-N-benzyl-6-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112871519
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine (CID 112870518) is 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine is Cc1nc(NCCCN(C)C)cc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine?
The InChIKey is ZBSWVTVXWBHUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-14-20-16(18-10-7-11-22(2)3)12-17(21-14)19-13-15-8-5-4-6-9-15/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112870518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).