6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione

C18H24N4O3 — CID 2511610

IUPAC6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCCN(CC)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O3/c1-4-21(5-2)12-14(23)15-16(19)22(18(25)20(3)17(15)24)11-13-9-7-6-8-10-13/h6-10H,4-5,11-12,19H2,1-3H3
InChIKeyNVDFKQKCASDSNN-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.70
Rot. Bonds7

About 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione (PubChem CID 2511610) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione
PubChem CID2511610
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione
SMILESCCN(CC)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C18H24N4O3/c1-4-21(5-2)12-14(23)15-16(19)22(18(25)20(3)17(15)24)11-13-9-7-6-8-10-13/h6-10H,4-5,11-12,19H2,1-3H3
InChIKeyNVDFKQKCASDSNN-UHFFFAOYSA-N
XLogP0.70
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
6-Amino-1-benzyl-5-methylaminouracil
CID 726225
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-ethylacetamide
CID 2096792
5-acetyl-1-benzyl-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione
CID 3814068
Barbituric acid, 1-benzyl-5,5-diallyl-
CID 48576
6-Amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2344558
6-Amino-1-benzyl-5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363702
3-(6-Amino-1-benzyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3-oxopropanenitrile
CID 2437302
6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2579979
5-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione
CID 3334243

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione (CID 2511610) is 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione is CCN(CC)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is NVDFKQKCASDSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-21(5-2)12-14(23)15-16(19)22(18(25)20(3)17(15)24)11-13-9-7-6-8-10-13/h6-10H,4-5,11-12,19H2,1-3H3.
What are the key properties of 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2511610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).