1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione

C14H23N3O2 — CID 56821975

IUPAC1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC1CCCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H23N3O2/c1-11-5-4-7-17(8-6-11)10-12-9-13(18)16(3)14(19)15(12)2/h9,11H,4-8,10H2,1-3H3
InChIKeyXKVMHWGPGBFREP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.71
Rot. Bonds2

About 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione (PubChem CID 56821975) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione
PubChem CID56821975
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC1CCCN(Cc2cc(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C14H23N3O2/c1-11-5-4-7-17(8-6-11)10-12-9-13(18)16(3)14(19)15(12)2/h9,11H,4-8,10H2,1-3H3
InChIKeyXKVMHWGPGBFREP-UHFFFAOYSA-N
XLogP0.71
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione (CID 56821975) is 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione is CC1CCCN(Cc2cc(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is XKVMHWGPGBFREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-5-4-7-17(8-6-11)10-12-9-13(18)16(3)14(19)15(12)2/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(4-methylazepan-1-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56821975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).