4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

C12H23N5 — CID 80777376

IUPAC4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-9-11(13-3)15-10(2)16-12(9)14-7-6-8-17(4)5/h6-8H2,1-5H3,(H2,13,14,15,16)
InChIKeyLHOAQFVTTHLCEG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds6

About 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80777376) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80777376
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCCCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-9-11(13-3)15-10(2)16-12(9)14-7-6-8-17(4)5/h6-8H2,1-5H3,(H2,13,14,15,16)
InChIKeyLHOAQFVTTHLCEG-UHFFFAOYSA-N
XLogP1.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.50
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,2,5-trimethyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327702
4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
6-N,2,5-trimethyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818951
2-tert-butyl-4-N-[2-(dimethylamino)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981185
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80846664
2-[2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]ethoxy]ethanol
CID 80825947
6-N-ethyl-2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80795484
N',N'-dimethyl-N-(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)propane-1,3-diamine
CID 35477938
4-N-(2,2-difluoroethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 115409413
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
6-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855008

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80777376) is 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NCCCN(C)C)c1C.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is LHOAQFVTTHLCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9-11(13-3)15-10(2)16-12(9)14-7-6-8-17(4)5/h6-8H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80777376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).