1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione

C21H23N5O3 — CID 142691082

IUPAC1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(C(=O)c2cc(C)cc(C)n2)n(Cc2cc(C)nc(N)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H23N5O3/c1-5-15-18(19(27)16-7-11(2)6-12(3)23-16)26(21(29)25-20(15)28)10-14-8-13(4)24-17(22)9-14/h6-9H,5,10H2,1-4H3,(H2,22,24)(H,25,28,29)
InChIKeyTXKXKAJIRJZSSI-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.68
Rot. Bonds5

About 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione

1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione (PubChem CID 142691082) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione
PubChem CID142691082
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(C(=O)c2cc(C)cc(C)n2)n(Cc2cc(C)nc(N)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H23N5O3/c1-5-15-18(19(27)16-7-11(2)6-12(3)23-16)26(21(29)25-20(15)28)10-14-8-13(4)24-17(22)9-14/h6-9H,5,10H2,1-4H3,(H2,22,24)(H,25,28,29)
InChIKeyTXKXKAJIRJZSSI-UHFFFAOYSA-N
XLogP1.68
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2-amino-6-bromo-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142691154
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(3-chloro-5-methylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 59184773
1-[(3,5-dibromophenyl)methyl]-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
CID 15957765
3-[3-[(2-amino-6-methyl-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylbenzonitrile
CID 59686844
6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
CID 5280006
6-(3,5-dimethylbenzoyl)-1-[(9,10-dioxoanthracen-2-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 15957783
1-[(2-chloro-6-methoxy-4-pyridinyl)methyl]-6-(4-chloro-6-methylpyridine-2-carbonyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142691105
1-but-2-enyl-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
CID 54164818
1-(4-chlorobut-2-enyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
CID 54105155
3-[3-[3-[(2-amino-6-fluoro-4-pyridinyl)methyl]-2,6-dioxo-5-propan-2-ylpyrimidine-4-carbonyl]-5-methylphenyl]prop-2-enenitrile
CID 90986902
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 80654354
3-[3-[(2,5-difluoro-2-methylpyrrol-3-yl)methyl]-5-ethyl-2,6-dioxopyrimidine-4-carbonyl]-5-methylbenzonitrile
CID 71125249

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione (CID 142691082) is 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione is CCc1c(C(=O)c2cc(C)cc(C)n2)n(Cc2cc(C)nc(N)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione?
The InChIKey is TXKXKAJIRJZSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-5-15-18(19(27)16-7-11(2)6-12(3)23-16)26(21(29)25-20(15)28)10-14-8-13(4)24-17(22)9-14/h6-9H,5,10H2,1-4H3,(H2,22,24)(H,25,28,29).
What are the key properties of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione?
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione has a molecular weight of 393.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 142691082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).