6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

C20H27ClN4O4 — CID 27250075

IUPAC6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN(C)CCOc2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C20H27ClN4O4/c1-13(2)11-25-18(22)17(19(27)24(4)20(25)28)16(26)12-23(3)9-10-29-15-7-5-14(21)6-8-15/h5-8,13H,9-12,22H2,1-4H3
InChIKeyUUSYQSOUZPZLDV-UHFFFAOYSA-N
MW422.91 g/mol
LogP1.63
Rot. Bonds9

About 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 27250075) has the molecular formula C20H27ClN4O4 and a molecular weight of 422.91 g/mol. Its IUPAC name is 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID27250075
Molecular FormulaC20H27ClN4O4
Molecular Weight422.91 g/mol
Exact Mass422.17
IUPAC Name6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(C(=O)CN(C)CCOc2ccc(Cl)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C20H27ClN4O4/c1-13(2)11-25-18(22)17(19(27)24(4)20(25)28)16(26)12-23(3)9-10-29-15-7-5-14(21)6-8-15/h5-8,13H,9-12,22H2,1-4H3
InChIKeyUUSYQSOUZPZLDV-UHFFFAOYSA-N
XLogP1.63
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 24980456
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CID 24982759
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CID 18230751
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CID 2360816
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CID 4825930
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CID 138454455
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CID 2714579
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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 27250075) is 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(C(=O)CN(C)CCOc2ccc(Cl)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is UUSYQSOUZPZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O4/c1-13(2)11-25-18(22)17(19(27)24(4)20(25)28)16(26)12-23(3)9-10-29-15-7-5-14(21)6-8-15/h5-8,13H,9-12,22H2,1-4H3.
What are the key properties of 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 422.91 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[2-(4-chlorophenoxy)ethyl-methylamino]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 27250075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).