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

C12H23N5 — CID 80845427

IUPAC4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CCCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-10-11(13-2)14-9-15-12(10)17(5)8-6-7-16(3)4/h9H,6-8H2,1-5H3,(H,13,14,15)
InChIKeyATFZHUHYKUUBPX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.21
Rot. Bonds6

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

4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80845427) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
PubChem CID80845427
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CCCN(C)C)c1C
InChIInChI=1S/C12H23N5/c1-10-11(13-2)14-9-15-12(10)17(5)8-6-7-16(3)4/h9H,6-8H2,1-5H3,(H,13,14,15)
InChIKeyATFZHUHYKUUBPX-UHFFFAOYSA-N
XLogP1.21
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107207443
4-N-(3-methoxypropyl)-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80823623
4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
4-N,6-N,5-trimethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068634
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
6-hydrazinyl-N-(3-methoxypropyl)-N,5-dimethylpyrimidin-4-amine
CID 80913732
4-N,4-N-bis(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80795868
4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80845621
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
5-[methyl-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-1-ol
CID 107207555
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80846664
4-N-hexyl-6-N,5-dimethyl-4-N-prop-1-en-2-ylpyrimidine-4,6-diamine
CID 143645708

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine (CID 80845427) is 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is CNc1ncnc(N(C)CCCN(C)C)c1C.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is ATFZHUHYKUUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10-11(13-2)14-9-15-12(10)17(5)8-6-7-16(3)4/h9H,6-8H2,1-5H3,(H,13,14,15).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-4-N,6-N,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80845427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).