6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione

C18H18N4O2 — CID 2344558

IUPAC6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
SMILESNc1c(NCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c19-16-15(20-11-13-7-3-1-4-8-13)17(23)21-18(24)22(16)12-14-9-5-2-6-10-14/h1-10,20H,11-12,19H2,(H,21,23,24)
InChIKeyNVWATUJGRHJHMC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.78
Rot. Bonds5

About 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione

6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione (PubChem CID 2344558) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
PubChem CID2344558
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
SMILESNc1c(NCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H18N4O2/c19-16-15(20-11-13-7-3-1-4-8-13)17(23)21-18(24)22(16)12-14-9-5-2-6-10-14/h1-10,20H,11-12,19H2,(H,21,23,24)
InChIKeyNVWATUJGRHJHMC-UHFFFAOYSA-N
XLogP1.78
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione (CID 2344558) is 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione is Nc1c(NCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione?
The InChIKey is NVWATUJGRHJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-16-15(20-11-13-7-3-1-4-8-13)17(23)21-18(24)22(16)12-14-9-5-2-6-10-14/h1-10,20H,11-12,19H2,(H,21,23,24).
What are the key properties of 6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione?
6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione has a molecular weight of 322.37 g/mol, XLogP of 1.78, 5 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-(benzylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2344558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).