6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione

C19H24N4O2 — CID 2363702

IUPAC6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione
SMILESNc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H24N4O2/c20-17-16(21-12-11-14-7-3-1-4-8-14)18(24)22-19(25)23(17)13-15-9-5-2-6-10-15/h2,5-7,9-10,21H,1,3-4,8,11-13,20H2,(H,22,24,25)
InChIKeyOCXITSQBTTTWKI-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds6

About 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 2363702) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID2363702
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione
SMILESNc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C19H24N4O2/c20-17-16(21-12-11-14-7-3-1-4-8-14)18(24)22-19(25)23(17)13-15-9-5-2-6-10-15/h2,5-7,9-10,21H,1,3-4,8,11-13,20H2,(H,22,24,25)
InChIKeyOCXITSQBTTTWKI-UHFFFAOYSA-N
XLogP2.47
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione (CID 2363702) is 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione is Nc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is OCXITSQBTTTWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c20-17-16(21-12-11-14-7-3-1-4-8-14)18(24)22-19(25)23(17)13-15-9-5-2-6-10-15/h2,5-7,9-10,21H,1,3-4,8,11-13,20H2,(H,22,24,25).
What are the key properties of 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 340.43 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 2363702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).