N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide

C12H17N5O4 — CID 60800875

IUPACN-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
SMILESNC(=O)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C12H17N5O4/c13-9(18)6-17(7-1-3-14-4-2-7)11(20)8-5-10(19)16-12(21)15-8/h5,7,14H,1-4,6H2,(H2,13,18)(H2,15,16,19,21)
InChIKeyMKRRGYREAIQASO-UHFFFAOYSA-N
MW295.30 g/mol
LogP-2.26
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide

N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide (PubChem CID 60800875) has the molecular formula C12H17N5O4 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
PubChem CID60800875
Molecular FormulaC12H17N5O4
Molecular Weight295.30 g/mol
Exact Mass295.13
IUPAC NameN-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
SMILESNC(=O)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C12H17N5O4/c13-9(18)6-17(7-1-3-14-4-2-7)11(20)8-5-10(19)16-12(21)15-8/h5,7,14H,1-4,6H2,(H2,13,18)(H2,15,16,19,21)
InChIKeyMKRRGYREAIQASO-UHFFFAOYSA-N
XLogP-2.26
TPSA141.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 745053
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
N-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869
N-cyclohexyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137644281
6-(3-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 132372620
2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 164633051
6-(3-aminopiperidino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 56770224
2-[Piperidin-4-yl-(2,2,2-trifluoroacetyl)amino]-1,2-dihydropyridine-6-carboxamide
CID 173104522

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide (CID 60800875) is N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide is NC(=O)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
The InChIKey is MKRRGYREAIQASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4/c13-9(18)6-17(7-1-3-14-4-2-7)11(20)8-5-10(19)16-12(21)15-8/h5,7,14H,1-4,6H2,(H2,13,18)(H2,15,16,19,21).
What are the key properties of N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide has a molecular weight of 295.30 g/mol, XLogP of -2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 60800875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).