6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione

C17H20N6O5 — CID 56834649

IUPAC6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccco2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N6O5/c1-20-12(18)10(14(24)22(3)16(20)26)9(8-6-5-7-28-8)11-13(19)21(2)17(27)23(4)15(11)25/h5-7,9H,18-19H2,1-4H3
InChIKeyCREYEJVCZVHGCQ-UHFFFAOYSA-N
MW388.38 g/mol
LogP-1.58
Rot. Bonds3

About 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 56834649) has the molecular formula C17H20N6O5 and a molecular weight of 388.38 g/mol. Its IUPAC name is 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID56834649
Molecular FormulaC17H20N6O5
Molecular Weight388.38 g/mol
Exact Mass388.15
IUPAC Name6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccco2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C17H20N6O5/c1-20-12(18)10(14(24)22(3)16(20)26)9(8-6-5-7-28-8)11-13(19)21(2)17(27)23(4)15(11)25/h5-7,9H,18-19H2,1-4H3
InChIKeyCREYEJVCZVHGCQ-UHFFFAOYSA-N
XLogP-1.58
TPSA153.18 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 56834649) is 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(c2ccco2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CREYEJVCZVHGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O5/c1-20-12(18)10(14(24)22(3)16(20)26)9(8-6-5-7-28-8)11-13(19)21(2)17(27)23(4)15(11)25/h5-7,9H,18-19H2,1-4H3.
What are the key properties of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 388.38 g/mol, XLogP of -1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(furan-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 56834649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).