6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione

C17H20Cl2N4O3 — CID 4848593

IUPAC6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2cccc(Cl)c2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C17H20Cl2N4O3/c1-3-7-23-15(20)13(16(25)21-17(23)26)12(24)9-22(2)8-10-5-4-6-11(18)14(10)19/h4-6H,3,7-9,20H2,1-2H3,(H,21,25,26)
InChIKeyYKYQUDCSJMZNFT-UHFFFAOYSA-N
MW399.28 g/mol
LogP2.15
Rot. Bonds7

About 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 4848593) has the molecular formula C17H20Cl2N4O3 and a molecular weight of 399.28 g/mol. Its IUPAC name is 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID4848593
Molecular FormulaC17H20Cl2N4O3
Molecular Weight399.28 g/mol
Exact Mass398.09
IUPAC Name6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2cccc(Cl)c2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C17H20Cl2N4O3/c1-3-7-23-15(20)13(16(25)21-17(23)26)12(24)9-22(2)8-10-5-4-6-11(18)14(10)19/h4-6H,3,7-9,20H2,1-2H3,(H,21,25,26)
InChIKeyYKYQUDCSJMZNFT-UHFFFAOYSA-N
XLogP2.15
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 52.15
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-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione (CID 4848593) is 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(C)Cc2cccc(Cl)c2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is YKYQUDCSJMZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3/c1-3-7-23-15(20)13(16(25)21-17(23)26)12(24)9-22(2)8-10-5-4-6-11(18)14(10)19/h4-6H,3,7-9,20H2,1-2H3,(H,21,25,26).
What are the key properties of 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 399.28 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 4848593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).