4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide

C14H21N5O3 — CID 46990842

IUPAC4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide
SMILESCc1cc(C)n(CCC(=O)N2CCN(C(N)=O)CC2)c(=O)n1
InChIInChI=1S/C14H21N5O3/c1-10-9-11(2)19(14(22)16-10)4-3-12(20)17-5-7-18(8-6-17)13(15)21/h9H,3-8H2,1-2H3,(H2,15,21)
InChIKeyBHUVPDSBDVEWTN-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.53
Rot. Bonds3

About 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide

4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide (PubChem CID 46990842) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide
PubChem CID46990842
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide
SMILESCc1cc(C)n(CCC(=O)N2CCN(C(N)=O)CC2)c(=O)n1
InChIInChI=1S/C14H21N5O3/c1-10-9-11(2)19(14(22)16-10)4-3-12(20)17-5-7-18(8-6-17)13(15)21/h9H,3-8H2,1-2H3,(H2,15,21)
InChIKeyBHUVPDSBDVEWTN-UHFFFAOYSA-N
XLogP-0.53
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11787802, Example 62
CID 169489632
5-(4-Acetylpiperazine-1-carbonyl)-1H-benzo[d]imidazol-2(3H)-one
CID 169489603
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
CID 46983590
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56888439
(2Z)-3-imino-1-(4-methylpiperazin-1-yl)-2-(1,4,6-trimethylpyrimidin-2-ylidene)propan-1-one
CID 166968409
4,6-Dimethyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 24699830
N-(2-cyanoethyl)-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-methylpropanamide
CID 43289145
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
CID 46982324
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]propanamide
CID 46989095
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 61722761
4,6-Dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-2-one
CID 62018050
4,6-Dimethyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-2-one
CID 62543272

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide (CID 46990842) is 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide is Cc1cc(C)n(CCC(=O)N2CCN(C(N)=O)CC2)c(=O)n1.
What is the InChIKey of 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide?
The InChIKey is BHUVPDSBDVEWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-10-9-11(2)19(14(22)16-10)4-3-12(20)17-5-7-18(8-6-17)13(15)21/h9H,3-8H2,1-2H3,(H2,15,21).
What are the key properties of 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide?
4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 46990842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).