6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione

C16H14N2O2 — CID 762168

IUPAC6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-10-14(15(19)18-16(20)17-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,17,18,19,20)
InChIKeyMBWRDKWHGMPCON-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.12
Rot. Bonds2

About 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione

6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 762168) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID762168
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1cccc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-10-14(15(19)18-16(20)17-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,17,18,19,20)
InChIKeyMBWRDKWHGMPCON-UHFFFAOYSA-N
XLogP2.12
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione (CID 762168) is 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Cc1cccc2ccccc12.
What is the InChIKey of 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MBWRDKWHGMPCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-14(15(19)18-16(20)17-10)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,9H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione?
6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(naphthalen-1-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 762168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).