1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione

C12H15N5O2 — CID 80654354

IUPAC1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nc(C)cc(N)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-3-8-5-17(12(19)16-11(8)18)6-10-14-7(2)4-9(13)15-10/h4-5H,3,6H2,1-2H3,(H2,13,14,15)(H,16,18,19)
InChIKeyORUAJMDROUJJKW-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.17
Rot. Bonds3

About 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione

1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione (PubChem CID 80654354) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione
PubChem CID80654354
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione
SMILESCCc1cn(Cc2nc(C)cc(N)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-3-8-5-17(12(19)16-11(8)18)6-10-14-7(2)4-9(13)15-10/h4-5H,3,6H2,1-2H3,(H2,13,14,15)(H,16,18,19)
InChIKeyORUAJMDROUJJKW-UHFFFAOYSA-N
XLogP-0.17
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

A-690344
CID 9806160
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 10027629
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-fluoro-4-hydroxypyrimidin-2(1H)-one
CID 10390058
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxypyrimidin-2(1H)-one
CID 10456628
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3,5-dimethylpyrimidine-2,4(1H,3H)-dione
CID 10457955
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxy-2-oxo-1,2-dihydropyrimidine-5-carbonitrile
CID 11754850
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-chloro-4-hydroxypyrimidin-2(1H)-one
CID 44406895
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-4-hydroxy-5-(trifluoromethyl)pyrimidin-2(1H)-one
CID 44406899
1-(4-(4-(2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-5-ethyl-4-hydroxypyrimidin-2(1H)-one
CID 44406913
1-(6-Methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
CID 719065
5-Fluoro-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrimidine-2,4-dione
CID 719067
Urea, N-(2,6-dimethyl-4-pyrimidinyl)-N'-ethyl-
CID 3061666

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione (CID 80654354) is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione is CCc1cn(Cc2nc(C)cc(N)n2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione?
The InChIKey is ORUAJMDROUJJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-8-5-17(12(19)16-11(8)18)6-10-14-7(2)4-9(13)15-10/h4-5H,3,6H2,1-2H3,(H2,13,14,15)(H,16,18,19).
What are the key properties of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione?
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione has a molecular weight of 261.29 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 80654354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).