4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

C12H22N4 — CID 80753501

IUPAC4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1nc(C)nc(NC)c1C
InChIInChI=1S/C12H22N4/c1-6-7-8-16(5)12-9(2)11(13-4)14-10(3)15-12/h6-8H2,1-5H3,(H,13,14,15)
InChIKeyGDIHQZGOYLIIFO-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.37
Rot. Bonds5

About 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (PubChem CID 80753501) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
PubChem CID80753501
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1nc(C)nc(NC)c1C
InChIInChI=1S/C12H22N4/c1-6-7-8-16(5)12-9(2)11(13-4)14-10(3)15-12/h6-8H2,1-5H3,(H,13,14,15)
InChIKeyGDIHQZGOYLIIFO-UHFFFAOYSA-N
XLogP2.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80846664
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-pentylpyrimidine-4,6-diamine
CID 80993292
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918505
4-N-(cyclopropylmethyl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80798270
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
4-N,6-N,2,5-tetramethyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766493
5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207622
4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80809386
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]ethanol
CID 80944403

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (CID 80753501) is 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is CCCCN(C)c1nc(C)nc(NC)c1C.
What is the InChIKey of 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The InChIKey is GDIHQZGOYLIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-6-7-8-16(5)12-9(2)11(13-4)14-10(3)15-12/h6-8H2,1-5H3,(H,13,14,15).
What are the key properties of 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80753501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).