2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide

C19H32N4O3 — CID 16673946

IUPAC2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide
SMILESCCC(CN1CCC(C)CC1)NC(=O)Cc1c(C)nc(OC)nc1OC
InChIInChI=1S/C19H32N4O3/c1-6-15(12-23-9-7-13(2)8-10-23)21-17(24)11-16-14(3)20-19(26-5)22-18(16)25-4/h13,15H,6-12H2,1-5H3,(H,21,24)
InChIKeyDXHUVMCTROVBKG-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.97
Rot. Bonds8

About 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide

2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide (PubChem CID 16673946) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide
PubChem CID16673946
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide
SMILESCCC(CN1CCC(C)CC1)NC(=O)Cc1c(C)nc(OC)nc1OC
InChIInChI=1S/C19H32N4O3/c1-6-15(12-23-9-7-13(2)8-10-23)21-17(24)11-16-14(3)20-19(26-5)22-18(16)25-4/h13,15H,6-12H2,1-5H3,(H,21,24)
InChIKeyDXHUVMCTROVBKG-UHFFFAOYSA-N
XLogP1.97
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(fluoromethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-en-1-one
CID 138665449
N-cyclopentyl-2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 16672078
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16672106
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
CID 16673954
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 16674002
2,4-Dimethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 83668190
4-Methoxy-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105460816
2-amino-N-cyclohexyl-4-methoxy-5,5-dimethyl-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 118389332
3-methyl-1-[4-(2-methylbutoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-en-1-one
CID 138666527
1-(4-methoxy-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-methyl-2-[(E)-1-[(1-methylcyclopropyl)amino]-1-(methylideneamino)prop-1-en-2-yl]but-2-en-1-one
CID 138666732
(5S)-5-[(2-chloro-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 156822300
5-[(2-chloro-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 166692681

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide (CID 16673946) is 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide is CCC(CN1CCC(C)CC1)NC(=O)Cc1c(C)nc(OC)nc1OC.
What is the InChIKey of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide?
The InChIKey is DXHUVMCTROVBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-6-15(12-23-9-7-13(2)8-10-23)21-17(24)11-16-14(3)20-19(26-5)22-18(16)25-4/h13,15H,6-12H2,1-5H3,(H,21,24).
What are the key properties of 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide?
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[1-(4-methylpiperidin-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 16673946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).