6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine

C17H25N5 — CID 112857798

IUPAC6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCCCN(C)C)ncn2)cc1C
InChIInChI=1S/C17H25N5/c1-13-6-7-15(10-14(13)2)21-17-11-16(19-12-20-17)18-8-5-9-22(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H2,18,19,20,21)
InChIKeyAEIZBAXAISSOIQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.20
Rot. Bonds7

About 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine

6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112857798) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112857798
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NCCCN(C)C)ncn2)cc1C
InChIInChI=1S/C17H25N5/c1-13-6-7-15(10-14(13)2)21-17-11-16(19-12-20-17)18-8-5-9-22(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H2,18,19,20,21)
InChIKeyAEIZBAXAISSOIQ-UHFFFAOYSA-N
XLogP3.20
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.20
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

4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
1-(3,4-Dimethylphenyl)-3-(2-pyridinyl)thiourea
CID 2731041
4-N-ethyl-6-N,1,2-trimethyl-4-N-phenylpyrimidin-1-ium-4,6-diamine;chloride
CID 9796088
2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-(3,4-dimethylphenyl)-6-methylquinazolin-4-amine
CID 720610
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine (CID 112857798) is 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NCCCN(C)C)ncn2)cc1C.
What is the InChIKey of 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is AEIZBAXAISSOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-6-7-15(10-14(13)2)21-17-11-16(19-12-20-17)18-8-5-9-22(3)4/h6-7,10-12H,5,8-9H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine?
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.20, 7 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-(3,4-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112857798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).