2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide

C17H28N6O4+2 — CID 9450975

IUPAC2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
SMILESCn1c(N)c(C(=O)C[NH+]2CC[NH+](CC(=O)NC3CC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H26N6O4/c1-20-15(18)14(16(26)21(2)17(20)27)12(24)9-22-5-7-23(8-6-22)10-13(25)19-11-3-4-11/h11H,3-10,18H2,1-2H3,(H,19,25)/p+2
InChIKeyCVYFHDQRPGBPGM-UHFFFAOYSA-P
MW380.45 g/mol
LogP-5.09
Rot. Bonds6

About 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide

2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide (PubChem CID 9450975) has the molecular formula C17H28N6O4+2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
PubChem CID9450975
Molecular FormulaC17H28N6O4+2
Molecular Weight380.45 g/mol
Exact Mass380.22
IUPAC Name2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide
SMILESCn1c(N)c(C(=O)C[NH+]2CC[NH+](CC(=O)NC3CC3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C17H26N6O4/c1-20-15(18)14(16(26)21(2)17(20)27)12(24)9-22-5-7-23(8-6-22)10-13(25)19-11-3-4-11/h11H,3-10,18H2,1-2H3,(H,19,25)/p+2
InChIKeyCVYFHDQRPGBPGM-UHFFFAOYSA-P
XLogP-5.09
TPSA125.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 5-5.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide with MolForge

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Related Compounds

6-amino-5-[(cyclohexylamino)acetyl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 729488
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 4848840
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 4849751
6-Amino-5-[2-(butylamino)acetyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 15993495
6-Amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 25479392
6-Amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride
CID 126477197
2-[[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302605
2-[[2-[4-Amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 169167966
(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 170543311
6-Amino-3-methyl-5-(2-piperidin-1-ium-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 2441152
6-amino-3-methyl-5-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2682235
6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
CID 2682239

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide (CID 9450975) is 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide is Cn1c(N)c(C(=O)C[NH+]2CC[NH+](CC(=O)NC3CC3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
The InChIKey is CVYFHDQRPGBPGM-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H26N6O4/c1-20-15(18)14(16(26)21(2)17(20)27)12(24)9-22-5-7-23(8-6-22)10-13(25)19-11-3-4-11/h11H,3-10,18H2,1-2H3,(H,19,25)/p+2.
What are the key properties of 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide?
2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide has a molecular weight of 380.45 g/mol, XLogP of -5.09, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 9450975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).