6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione

C21H28N4O4 — CID 46188301

IUPAC6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(/N=C/c2ccc(OC3CCCC3)c(OC)c2)c(N)n(C)c1=O
InChIInChI=1S/C21H28N4O4/c1-4-11-25-20(26)18(19(22)24(2)21(25)27)23-13-14-9-10-16(17(12-14)28-3)29-15-7-5-6-8-15/h9-10,12-13,15H,4-8,11,22H2,1-3H3/b23-13+
InChIKeyWYYZASRTUVTGCG-YDZHTSKRSA-N
MW400.48 g/mol
LogP2.62
Rot. Bonds7

About 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione

6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione (PubChem CID 46188301) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione
PubChem CID46188301
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione
SMILESCCCn1c(=O)c(/N=C/c2ccc(OC3CCCC3)c(OC)c2)c(N)n(C)c1=O
InChIInChI=1S/C21H28N4O4/c1-4-11-25-20(26)18(19(22)24(2)21(25)27)23-13-14-9-10-16(17(12-14)28-3)29-15-7-5-6-8-15/h9-10,12-13,15H,4-8,11,22H2,1-3H3/b23-13+
InChIKeyWYYZASRTUVTGCG-YDZHTSKRSA-N
XLogP2.62
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
6-amino-5-[(4-methoxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 11033526
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
CID 173248162
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
CID 110173499
6-amino-1-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-5-nitroso-2-sulfanylidenepyrimidin-4-one
CID 18473505

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione (CID 46188301) is 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione is CCCn1c(=O)c(/N=C/c2ccc(OC3CCCC3)c(OC)c2)c(N)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione?
The InChIKey is WYYZASRTUVTGCG-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-4-11-25-20(26)18(19(22)24(2)21(25)27)23-13-14-9-10-16(17(12-14)28-3)29-15-7-5-6-8-15/h9-10,12-13,15H,4-8,11,22H2,1-3H3/b23-13+.
What are the key properties of 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione?
6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione has a molecular weight of 400.48 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-cyclopentyloxy-3-methoxyphenyl)methylideneamino]-1-methyl-3-propylpyrimidine-2,4-dione is sourced from PubChem (CID 46188301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).