6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione

C14H18N4O2 — CID 45496500

IUPAC6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(CN)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H18N4O2/c1-17-12(16)11(13(19)18(2)14(17)20)10(8-15)9-6-4-3-5-7-9/h3-7,10H,8,15-16H2,1-2H3
InChIKeyQJGADYDDPBQDRT-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.24
Rot. Bonds3

About 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 45496500) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID45496500
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(CN)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C14H18N4O2/c1-17-12(16)11(13(19)18(2)14(17)20)10(8-15)9-6-4-3-5-7-9/h3-7,10H,8,15-16H2,1-2H3
InChIKeyQJGADYDDPBQDRT-UHFFFAOYSA-N
XLogP-0.24
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 45496500) is 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(CN)c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QJGADYDDPBQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-12(16)11(13(19)18(2)14(17)20)10(8-15)9-6-4-3-5-7-9/h3-7,10H,8,15-16H2,1-2H3.
What are the key properties of 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-amino-1-phenylethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 45496500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).