2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

C14H23N3O3 — CID 43327768

IUPAC2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCN(CC)CCn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C14H23N3O3/c1-5-16(6-2)7-8-17-11(4)12(9-13(18)19)10(3)15-14(17)20/h5-9H2,1-4H3,(H,18,19)
InChIKeyDNVRQIOYRCHVPX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.83
Rot. Bonds7

About 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid

2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (PubChem CID 43327768) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
PubChem CID43327768
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
SMILESCCN(CC)CCn1c(C)c(CC(=O)O)c(C)nc1=O
InChIInChI=1S/C14H23N3O3/c1-5-16(6-2)7-8-17-11(4)12(9-13(18)19)10(3)15-14(17)20/h5-9H2,1-4H3,(H,18,19)
InChIKeyDNVRQIOYRCHVPX-UHFFFAOYSA-N
XLogP0.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 43145190
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 63227242
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
2-[4,6-Diethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79218419
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]acetic acid
CID 106295256
2-[1-(2,2-Difluoroethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 113303969
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 113303971
2-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid
CID 115408224
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]acetic acid
CID 115521540

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid (CID 43327768) is 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is CCN(CC)CCn1c(C)c(CC(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
The InChIKey is DNVRQIOYRCHVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-16(6-2)7-8-17-11(4)12(9-13(18)19)10(3)15-14(17)20/h5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid?
2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]acetic acid is sourced from PubChem (CID 43327768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).