N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide

C20H35N5O3 — CID 2682212

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1CCC[C@@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O3/c1-5-6-10-24(16(26)13-23-9-7-8-15(4)12-23)17-18(21)25(11-14(2)3)20(28)22-19(17)27/h14-15H,5-13,21H2,1-4H3,(H,22,27,28)/t15-/m1/s1
InChIKeyUVTDDDTYAXWBFD-OAHLLOKOSA-N
MW393.53 g/mol
LogP1.64
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide (PubChem CID 2682212) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
PubChem CID2682212
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1CCC[C@@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H35N5O3/c1-5-6-10-24(16(26)13-23-9-7-8-15(4)12-23)17-18(21)25(11-14(2)3)20(28)22-19(17)27/h14-15H,5-13,21H2,1-4H3,(H,22,27,28)/t15-/m1/s1
InChIKeyUVTDDDTYAXWBFD-OAHLLOKOSA-N
XLogP1.64
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554677
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999301
6-amino-5-[butyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78834369
ethyl 1-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 42996488
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-butylacetamide
CID 8583532
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 36648831
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654369
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 41079630
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-butyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9094118
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26211171
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 5019607

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide (CID 2682212) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide is CCCCN(C(=O)CN1CCC[C@@H](C)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is UVTDDDTYAXWBFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-5-6-10-24(16(26)13-23-9-7-8-15(4)12-23)17-18(21)25(11-14(2)3)20(28)22-19(17)27/h14-15H,5-13,21H2,1-4H3,(H,22,27,28)/t15-/m1/s1.
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(3R)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2682212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).