3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide

C17H23N5O3 — CID 46989095

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1cc(C)n(CCNC(=O)CCn2c(C)cc(C)nc2=O)c(=O)n1
InChIInChI=1S/C17H23N5O3/c1-11-9-13(3)21(16(24)19-11)7-5-15(23)18-6-8-22-14(4)10-12(2)20-17(22)25/h9-10H,5-8H2,1-4H3,(H,18,23)
InChIKeyDMKSKUSDAKEYES-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.24
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 46989095) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID46989095
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCc1cc(C)n(CCNC(=O)CCn2c(C)cc(C)nc2=O)c(=O)n1
InChIInChI=1S/C17H23N5O3/c1-11-9-13(3)21(16(24)19-11)7-5-15(23)18-6-8-22-14(4)10-12(2)20-17(22)25/h9-10H,5-8H2,1-4H3,(H,18,23)
InChIKeyDMKSKUSDAKEYES-UHFFFAOYSA-N
XLogP0.24
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 71895239
2-[4-(methoxymethyl)-1-methyl-6-propyl-2H-pyrimidin-2-yl]-2-(methylamino)-N-propan-2-ylacetamide
CID 121328473
(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330197
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propylbut-3-enamide
CID 121330203
(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330313
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide
CID 121330327
N-(2-aminocyclohexa-2,4-dien-1-yl)-3-[[3-(dipropylamino)propyl-(propan-2-ylcarbamoyl)amino]methyl]-2,3-dihydropyridine-6-carboxamide
CID 145482070
4,6-Dimethyl-1-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-2-one
CID 24699830
(3S)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077633
(3R)-1-tert-butyl-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 28077635

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide (CID 46989095) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide is Cc1cc(C)n(CCNC(=O)CCn2c(C)cc(C)nc2=O)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is DMKSKUSDAKEYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-9-13(3)21(16(24)19-11)7-5-15(23)18-6-8-22-14(4)10-12(2)20-17(22)25/h9-10H,5-8H2,1-4H3,(H,18,23).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 46989095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).