6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione

C11H13N3O2 — CID 46884643

IUPAC6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione
SMILESCC1=CCC(Nc2cc(=O)[nH]c(=O)[nH]2)C=C1
InChIInChI=1S/C11H13N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-4,6,8H,5H2,1H3,(H3,12,13,14,15,16)
InChIKeyFGJUTFZGZRUASJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.75
Rot. Bonds2

About 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione

6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione (PubChem CID 46884643) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione
PubChem CID46884643
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione
SMILESCC1=CCC(Nc2cc(=O)[nH]c(=O)[nH]2)C=C1
InChIInChI=1S/C11H13N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-4,6,8H,5H2,1H3,(H3,12,13,14,15,16)
InChIKeyFGJUTFZGZRUASJ-UHFFFAOYSA-N
XLogP0.75
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione (CID 46884643) is 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione is CC1=CCC(Nc2cc(=O)[nH]c(=O)[nH]2)C=C1.
What is the InChIKey of 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione?
The InChIKey is FGJUTFZGZRUASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-4,6,8H,5H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione?
6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcyclohexa-2,4-dien-1-yl)amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 46884643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).