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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Related Compounds

CID 11450633
CID 11450633
CID 117761397
CID 117761397
CID 2392273
CID 2392273
CID 562619
CID 562619
CID 309182
CID 309182
CID 309331
CID 309331
CID 1409300
CID 1409300
CID 231959
CID 231959
CID 2341173
CID 2341173
CID 273579
CID 273579
CID 726225
CID 726225
CID 2096792
CID 2096792

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).