4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine

C15H19Cl2N5 — CID 112857881

IUPAC4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C15H19Cl2N5/c1-22(2)5-3-4-18-14-9-15(20-10-19-14)21-13-7-11(16)6-12(17)8-13/h6-10H,3-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyUYKQVWHZJAKFGI-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.89
Rot. Bonds7

About 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine

4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine (PubChem CID 112857881) has the molecular formula C15H19Cl2N5 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
PubChem CID112857881
Molecular FormulaC15H19Cl2N5
Molecular Weight340.26 g/mol
Exact Mass339.10
IUPAC Name4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
SMILESCN(C)CCCNc1cc(Nc2cc(Cl)cc(Cl)c2)ncn1
InChIInChI=1S/C15H19Cl2N5/c1-22(2)5-3-4-18-14-9-15(20-10-19-14)21-13-7-11(16)6-12(17)8-13/h6-10H,3-5H2,1-2H3,(H2,18,19,20,21)
InChIKeyUYKQVWHZJAKFGI-UHFFFAOYSA-N
XLogP3.89
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.89
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]-4-N-(3,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857799
N-(3,5-dichlorophenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344839
6-N-[3-(dimethylamino)propyl]-4-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857798
N-(6-chloropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 56832156
N-[4-[6-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 11257563
6-N-[3-(dimethylamino)propyl]-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112857808
4-N-tert-butyl-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 112857775
3-N-(3,5-dichlorophenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945579
6-N-[3-(dimethylamino)propyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855266
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
6-N-[3-(dimethylamino)propyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281911
1-[3-[[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112857842

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine (CID 112857881) is 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine is CN(C)CCCNc1cc(Nc2cc(Cl)cc(Cl)c2)ncn1.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
The InChIKey is UYKQVWHZJAKFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5/c1-22(2)5-3-4-18-14-9-15(20-10-19-14)21-13-7-11(16)6-12(17)8-13/h6-10H,3-5H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine?
4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine has a molecular weight of 340.26 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-6-N-[3-(dimethylamino)propyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112857881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).