6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione

C22H26N4O2 — CID 16605848

IUPAC6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione
SMILESCCN(CCCc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O2/c1-2-25(15-9-14-17-10-5-3-6-11-17)19-20(23)26(22(28)24-21(19)27)16-18-12-7-4-8-13-18/h3-8,10-13H,2,9,14-16,23H2,1H3,(H,24,27,28)
InChIKeyUDQASLNVVNWLPH-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.63
Rot. Bonds8

About 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione (PubChem CID 16605848) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione
PubChem CID16605848
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione
SMILESCCN(CCCc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O2/c1-2-25(15-9-14-17-10-5-3-6-11-17)19-20(23)26(22(28)24-21(19)27)16-18-12-7-4-8-13-18/h3-8,10-13H,2,9,14-16,23H2,1H3,(H,24,27,28)
InChIKeyUDQASLNVVNWLPH-UHFFFAOYSA-N
XLogP2.63
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylbenzenesulfonamide
CID 71463473
3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 16597082
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-bromophenyl)acetamide
CID 41332177
ethyl 4-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetyl]piperazine-1-carboxylate
CID 16597038
6-amino-1-benzyl-5-[3-methoxypropyl(5-pyrazol-1-ylpentyl)amino]pyrimidine-2,4-dione
CID 56550685
1-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-3-propylthiourea
CID 9093587
6-amino-1-benzyl-5-[benzyl-[(2-chlorophenyl)methyl]amino]pyrimidine-2,4-dione
CID 34646156
6-amino-1-benzyl-5-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-ethylamino]pyrimidine-2,4-dione
CID 16597138
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 16596955
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-ethyl-N-propylbutanamide
CID 9464677
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 8801097

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione (CID 16605848) is 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione is CCN(CCCc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione?
The InChIKey is UDQASLNVVNWLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-25(15-9-14-17-10-5-3-6-11-17)19-20(23)26(22(28)24-21(19)27)16-18-12-7-4-8-13-18/h3-8,10-13H,2,9,14-16,23H2,1H3,(H,24,27,28).
What are the key properties of 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione?
6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione has a molecular weight of 378.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-[ethyl(3-phenylpropyl)amino]pyrimidine-2,4-dione is sourced from PubChem (CID 16605848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).