1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione

C30H43N5O5 — CID 146631871

IUPAC1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)n(C)c(=O)c1C(C)CCn1c(=O)c(C(C)CCn2c(=O)c(C(C)C)c(C)n(C)c2=O)cn(C)c1=O
InChIInChI=1S/C30H43N5O5/c1-17(2)24-22(7)33(10)30(40)35(28(24)38)13-11-18(3)23-16-31(8)29(39)34(26(23)36)14-12-19(4)25-20(5)15-21(6)32(9)27(25)37/h15-19H,11-14H2,1-10H3
InChIKeyJDLKEWBPTRSVQV-UHFFFAOYSA-N
MW553.70 g/mol
LogP2.54
Rot. Bonds9

About 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione

1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 146631871) has the molecular formula C30H43N5O5 and a molecular weight of 553.70 g/mol. Its IUPAC name is 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID146631871
Molecular FormulaC30H43N5O5
Molecular Weight553.70 g/mol
Exact Mass553.33
IUPAC Name1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1cc(C)n(C)c(=O)c1C(C)CCn1c(=O)c(C(C)CCn2c(=O)c(C(C)C)c(C)n(C)c2=O)cn(C)c1=O
InChIInChI=1S/C30H43N5O5/c1-17(2)24-22(7)33(10)30(40)35(28(24)38)13-11-18(3)23-16-31(8)29(39)34(26(23)36)14-12-19(4)25-20(5)15-21(6)32(9)27(25)37/h15-19H,11-14H2,1-10H3
InChIKeyJDLKEWBPTRSVQV-UHFFFAOYSA-N
XLogP2.54
TPSA110.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.70
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione (CID 146631871) is 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione is Cc1cc(C)n(C)c(=O)c1C(C)CCn1c(=O)c(C(C)CCn2c(=O)c(C(C)C)c(C)n(C)c2=O)cn(C)c1=O.
What is the InChIKey of 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is JDLKEWBPTRSVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N5O5/c1-17(2)24-22(7)33(10)30(40)35(28(24)38)13-11-18(3)23-16-31(8)29(39)34(26(23)36)14-12-19(4)25-20(5)15-21(6)32(9)27(25)37/h15-19H,11-14H2,1-10H3.
What are the key properties of 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione?
1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 553.70 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-[3-[1-methyl-2,4-dioxo-3-[3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)butyl]pyrimidin-5-yl]butyl]-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 146631871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).