4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

C12H22N4O — CID 80809386

IUPAC4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(N(C)C(C)COC)c1C
InChIInChI=1S/C12H22N4O/c1-8(7-17-6)16(5)12-9(2)11(13-4)14-10(3)15-12/h8H,7H2,1-6H3,(H,13,14,15)
InChIKeyFPQXTFDJPPGRIQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds5

About 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine

4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (PubChem CID 80809386) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
PubChem CID80809386
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(N(C)C(C)COC)c1C
InChIInChI=1S/C12H22N4O/c1-8(7-17-6)16(5)12-9(2)11(13-4)14-10(3)15-12/h8H,7H2,1-6H3,(H,13,14,15)
InChIKeyFPQXTFDJPPGRIQ-UHFFFAOYSA-N
XLogP1.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
4-N-ethyl-6-N,2,5-trimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774156
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80841759
4-N-butyl-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80753501
4-N-[2-(dimethylamino)ethyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80846664
6-(2-methoxyethoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80859844
4-N-[3-(dimethylamino)propyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80845627
4-N-(1-methoxypropan-2-yl)-4-N,6-N-dimethyl-5-nitropyrimidine-4,6-diamine
CID 78958736
1-methoxy-3-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-2-ol
CID 80983293
2-cyclopropyl-4-N,6-N,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80982960

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine (CID 80809386) is 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is CNc1nc(C)nc(N(C)C(C)COC)c1C.
What is the InChIKey of 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
The InChIKey is FPQXTFDJPPGRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(7-17-6)16(5)12-9(2)11(13-4)14-10(3)15-12/h8H,7H2,1-6H3,(H,13,14,15).
What are the key properties of 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine?
4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).