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

C20H21N3O2 — CID 56924726

IUPAC6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2c(=O)cc(N)n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-14-8-15(2)10-17(9-14)13-23-19(24)11-18(21)22(20(23)25)12-16-6-4-3-5-7-16/h3-11H,12-13,21H2,1-2H3
InChIKeyZCUHUVVJLUJGDU-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.31
Rot. Bonds4

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

6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 56924726) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID56924726
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2c(=O)cc(N)n(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C20H21N3O2/c1-14-8-15(2)10-17(9-14)13-23-19(24)11-18(21)22(20(23)25)12-16-6-4-3-5-7-16/h3-11H,12-13,21H2,1-2H3
InChIKeyZCUHUVVJLUJGDU-UHFFFAOYSA-N
XLogP2.31
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mavacamten
CID 117761397
3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
CID 937941
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
1-(3-Tritylaminopropyl)uracil
CID 11589642
6-Chloro-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2143092
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1,3-Dibenzylpyrimidine-2,4-dione
CID 698951
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654
6-Amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2344558
1-Benzyluracil
CID 237962
6-Amino-1-benzyluracil
CID 250746
1-[6-(Tritylamino)hexyl]pyrimidine-2,4-dione
CID 11568685

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (CID 56924726) is 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is Cc1cc(C)cc(Cn2c(=O)cc(N)n(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZCUHUVVJLUJGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-8-15(2)10-17(9-14)13-23-19(24)11-18(21)22(20(23)25)12-16-6-4-3-5-7-16/h3-11H,12-13,21H2,1-2H3.
What are the key properties of 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 335.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56924726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).