4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one

C20H28N6O3 — CID 24768333

IUPAC4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one
SMILESCCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1OC
InChIInChI=1S/C20H28N6O3/c1-6-8-11-25(7-2)18-17-19(22-13(3)21-18)26(12-15(27)23-17)14-9-10-16(28-4)24-20(14)29-5/h9-10H,6-8,11-12H2,1-5H3,(H,23,27)
InChIKeyHRRHPMFZXSSDQD-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.91
Rot. Bonds8

About 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one

4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one (PubChem CID 24768333) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one
PubChem CID24768333
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one
SMILESCCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1OC
InChIInChI=1S/C20H28N6O3/c1-6-8-11-25(7-2)18-17-19(22-13(3)21-18)26(12-15(27)23-17)14-9-10-16(28-4)24-20(14)29-5/h9-10H,6-8,11-12H2,1-5H3,(H,23,27)
InChIKeyHRRHPMFZXSSDQD-UHFFFAOYSA-N
XLogP2.91
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-[butyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 10363553
N-butyl-4-(2,6-dimethoxypyridin-3-yl)-N-ethyl-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-8-amine
CID 24768332
N-butyl-8-(2,6-dimethoxypyridin-3-yl)-N-ethyl-2-methyl-5,6,7,8-tetrahydropteridin-4-amine
CID 24768334
8-[Butyl(ethyl)amino]-4-(6-methoxy-2-methyl-3-pyridinyl)-6-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 11181032
2-(6-methoxypyridin-3-yl)-6-(2-morpholinoethylamino)-8-(2-propoxyethyl)pteridin-7(8H)-one
CID 45270704
1-[(3R)-3-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 59174367
1-[(3S)-3-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 59174557
1-[4-(3-Amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 47003077
N-[2-Methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enamide
CID 137931039
N-(6-methoxy-3-pyridinyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 45803691
1-(2-Methoxy-3-pyridinyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51085055
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]acetamide
CID 52845163

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one?
The IUPAC name of 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one (CID 24768333) is 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one?
The canonical SMILES for 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one is CCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(OC)nc1OC.
What is the InChIKey of 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one?
The InChIKey is HRRHPMFZXSSDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-6-8-11-25(7-2)18-17-19(22-13(3)21-18)26(12-15(27)23-17)14-9-10-16(28-4)24-20(14)29-5/h9-10H,6-8,11-12H2,1-5H3,(H,23,27).
What are the key properties of 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one?
4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one has a molecular weight of 400.48 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-8-(2,6-dimethoxy-3-pyridinyl)-2-methyl-5,7-dihydropteridin-6-one is sourced from PubChem (CID 24768333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).